Re: [Wien] Error during compilation
That's not enough information. You would need to look for additional information inside the SRC_hf/compile.msg file for troubleshooting the error. It might also help to upgrade to WIEN2k 21.1. On the updates page [1], it has written the following were it looks like WIEN2k 21.1 fixed significant hf bugs that WIEN2k 19.1 had.*** * *SRC_hf:* Fix for "spin-polarized calc. + SO and no inversion symmetry (never really "active"),atoms up to ZZ=118 [1] http://susi.theochem.tuwien.ac.at/reg_user/updates/ Kind Regards, Gavin WIEN2k user On 12/1/2022 3:11 AM, shamik chakrabarti wrote: Dear Wien2k users, I have tried to install wien2k 19.1 in a workstation in which Ubantu is installed. Compilation progresses with an error at SRC_hf as follows; make[1]: *** [Makefile:273: read_uc.o] Error 1 make[1]: Leaving directory '/usr/local/Wien2k/SRC_hf' make: *** [Makefile:183: complex] Error 2 "compile.msg" 393L, 37610C Please suggest. with regards, -- Dr. Shamik Chakrabarti Research Fellow Department of Physics Indian Institute of Technology Patna Bihta-801103 Patna Bihar, India___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
[Wien] Error during compilation
Dear Wien2k users, I have tried to install wien2k 19.1 in a workstation in which Ubantu is installed. Compilation progresses with an error at SRC_hf as follows; make[1]: *** [Makefile:273: read_uc.o] Error 1 make[1]: Leaving directory '/usr/local/Wien2k/SRC_hf' make: *** [Makefile:183: complex] Error 2 "compile.msg" 393L, 37610C Please suggest. with regards, -- Dr. Shamik Chakrabarti Research Fellow Department of Physics Indian Institute of Technology Patna Bihta-801103 Patna Bihar, India ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
Re: [Wien] Error in compilation of lapw0
My guess is that you have not appropriately setup $MKLROOT. Try the command "ls -l $MKLROOT" and check whether it is right and you have permissions. The default path has an "/opt" in front which you are missing. (But you might have installed to /intel rather than /opt/intel.) Did you source the relevant intel scripts to setup the paths or do it by hand? N.B., you can avoid many of these issues by just using -mkl=parallel although this may require editing the Makefile definitions a little since I seem to remember that the configure script is not setup for this. _ Professor Laurence Marks "Research is to see what everybody else has seen, and to think what nobody else has thought", Albert Szent-Gyorgi www.numis.northwestern.edu On Thu, Jan 7, 2021, 05:19 Vidit Zala wrote: > Dear Sir, > I am trying to compile Wien2k version 19.1 on a system with intel Core i7 > processor (Haswell), having ubuntu-18.04.5 installed in it. I am using > intel parallel_studio_xe_2019_update4_cluster_edition for libraries, with > mpiifort and icc as compilers. > > I have kept > > Compiler option : -O3 -xCORE-AVX2 -FR -mp1 -w -prec_div -pc80 -pad -ip > -traceback -assume buffered_io -I$(MKLROOT)/include > -I$(MKLROOT)/include/intel64/lp64 > > R_LIBS : -L$(MKLROOT)/lib/intel64 -lmkl_scalapack_lp64 -lmkl_cdft_core > -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -lmkl_blacs_intelmpi_lp64 > -lpthread -lm -ldl > > During the compilation of lapw0, I am getting an error saying, > > ld: cannot find > -/intel/compilers_and_libraries_2019.4.243/linux/mkl/lib/intel64: File > format not recognized > Makefile:131: recipe for target 'lapw0' failed > make[1]: *** [lapw0] Error 1 > make[1]: Leaving directory '-/Wien2k/SRC_lapw0' > Makefile:120: recipe for target 'seq' failed > make: *** [seq] Error 2 > make: *** No rule to make target 'complex'. Stop. > > > What should I do? Please guide me. > > Thank you. > ___ > Wien mailing list > Wien@zeus.theochem.tuwien.ac.at > > https://urldefense.com/v3/__http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien__;!!Dq0X2DkFhyF93HkjWTBQKhk!Dx7jK2p_pCNHjgQOrWlvZZnkUYZECXhhDqKYVTrMULQ-Xl2A-_NxBrk5jYaPh8jiEmuc0A$ > SEARCH the MAILING-LIST at: > https://urldefense.com/v3/__http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html__;!!Dq0X2DkFhyF93HkjWTBQKhk!Dx7jK2p_pCNHjgQOrWlvZZnkUYZECXhhDqKYVTrMULQ-Xl2A-_NxBrk5jYaPh8iV4Rd2Ug$ > ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
[Wien] Error in compilation of lapw0
Dear Sir, I am trying to compile Wien2k version 19.1 on a system with intel Core i7 processor (Haswell), having ubuntu-18.04.5 installed in it. I am using intel parallel_studio_xe_2019_update4_cluster_edition for libraries, with mpiifort and icc as compilers. I have kept Compiler option : -O3 -xCORE-AVX2 -FR -mp1 -w -prec_div -pc80 -pad -ip -traceback -assume buffered_io -I$(MKLROOT)/include -I$(MKLROOT)/include/intel64/lp64 R_LIBS : -L$(MKLROOT)/lib/intel64 -lmkl_scalapack_lp64 -lmkl_cdft_core -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -lmkl_blacs_intelmpi_lp64 -lpthread -lm -ldl During the compilation of lapw0, I am getting an error saying, ld: cannot find -/intel/compilers_and_libraries_2019.4.243/linux/mkl/lib/intel64: File format not recognized Makefile:131: recipe for target 'lapw0' failed make[1]: *** [lapw0] Error 1 make[1]: Leaving directory '-/Wien2k/SRC_lapw0' Makefile:120: recipe for target 'seq' failed make: *** [seq] Error 2 make: *** No rule to make target 'complex'. Stop. What should I do? Please guide me. Thank you. ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
Re: [Wien] Error after compilation
The ilp64 in your R_LIBS cannot be used for WIEN2k, you must use lp64 [ https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg08707.html ]. For composer 2017, you might also need "-assume nobuffered_io" in the O line [ https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg16802.html ]. On 1/22/2018 7:15 AM, mostefa djermouni wrote: Dear Peter BLAHA and Wien2k users, I have Linux Debian 9 architecture with ifort: composer 2017 and i7 7700 possessor. I did my compilation without error message, After calculation of GaAs example I get this error: LAPW0 END forrtl: severe (174): SIGSEGV, segmentation fault occurred forrtl: severe (174): SIGSEGV, segmentation fault occurred this is my compilation options: O: -FR -mp1 -w -prec_div -pc80 -pad -DINTEL_VML -traceback -O1 -xHost L: -i8 -I$(MKLROOT)/include/intel64/ilp64 -I$(MKLROOT)/include R: $(MKLROOT)/lib/intel64/libmkl_blas95_ilp64.a $(MKLROOT)/lib/intel64/libmkl_lapack95_ilp64.a -Wl,--start-group $(MKLROOT)/lib/intel64/libmkl_intel_ilp64.a $(MKLROOT)/lib/intel64/libmkl_intel_thread.a $(MKLROOT)/lib/intel64/libmkl_core.a -Wl,--end-group -liomp5 -lpthread -lm -ldl Thanks in advance. --- Dr. Mostefa DJERMOUNI Laboratoire de Physique Computationnelle des Matériaux -LPCM- Université Djilali Liabès de Sidi Bel-Abbès 22000 Sidi Bel-Abbès, Algérie Tél: +213 795 626 105 --- ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
[Wien] Error after compilation
Dear Peter BLAHA and Wien2k users, I have Linux Debian 9 architecture with ifort: composer 2017 and i7 7700 possessor. I did my compilation without error message, After calculation of GaAs example I get this error: LAPW0 END forrtl: severe (174): SIGSEGV, segmentation fault occurred forrtl: severe (174): SIGSEGV, segmentation fault occurred this is my compilation options: O: -FR -mp1 -w -prec_div -pc80 -pad -DINTEL_VML -traceback -O1 -xHost L: -i8 -I$(MKLROOT)/include/intel64/ilp64 -I$(MKLROOT)/include R: $(MKLROOT)/lib/intel64/libmkl_blas95_ilp64.a $(MKLROOT)/lib/intel64/libmkl_lapack95_ilp64.a -Wl,--start-group $(MKLROOT)/lib/intel64/libmkl_intel_ilp64.a $(MKLROOT)/lib/intel64/libmkl_intel_thread.a $(MKLROOT)/lib/intel64/libmkl_core.a -Wl,--end-group -liomp5 -lpthread -lm -ldl Thanks in advance. --- Dr. Mostefa DJERMOUNI Laboratoire de Physique Computationnelle des Matériaux -LPCM- Université Djilali Liabès de Sidi Bel-Abbès 22000 Sidi Bel-Abbès, Algérie Tél: +213 795 626 105 ---___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
[Wien] error in compilation
Dear Dr Gavin, Thanks for your response As per your suggestion I modified but still I am getting the same error can not open include file mkl_vml_fi Will you kindly suggest Regards and greetings Rajagopalan On Fri, Mar 15, 2013 at 6:25 AM, Gavin Abo gsabo at crimson.ua.edu wrote: Try the following shown below. On 3/15/2013 1:01 AM, Mathrubutham Rajagopalan wrote: Dear Developers and Users, Recently we purchased a DELL power edge T620 server . We have installed Ubuntu 12.04LS OS and for the ifort and mkl we used Composer_xe_2013.2.146 options used: Compiler options: -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML - LD_LIBRARY_PATH=/opt/intel/composer_xe_2013.2.146/mkl/lib/intel64 -I /opt/intel/composer_xe_2013.2.146/mkl/include R_LIB (LAPACK+BLAS):-lmkl_lapack95_lp64 -lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core -openmp -lpthread we tried to install Wien2k_12.1 version and we are getting the following errors, which is attached herewith. kindly suggest how to rectify the errors. Thanking you in advance * Dr M.Rajagopalan Emeritus Scientist (CSIR) Crystal Growth Center20 6th Main Road Anna University Chromepet Chennai 600 025 Chennai 600 044 Phone # 22213023 (R) 22359208 (O) Mobile 9445125709 * ___ Wien mailing list Wien at zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien -- * Dr M.Rajagopalan Emeritus Scientist (CSIR) Crystal Growth Center20 6th Main Road Anna University Chromepet Chennai 600 025 Chennai 600 044 Phone # 22213023 (R) 22359208 (O) Mobile 9445125709 * -- next part -- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20130318/f123f1b8/attachment.htm
[Wien] error in compilation
Does the file exist and have read access? username at computername:~/Desktop$ cd /opt/intel/composer_xe_2013.2.146/mkl/include/ username at computername:/opt/intel/composer_xe_2013.2.146/mkl/include$ ls -l mkl_vml.fi -- 1 root root 1373 Jan 25 06:10 mkl_vml.fi = File exists, but can cause the cannot open error since there is no read access username at computername:/opt/intel/composer_xe_2013.2.146/mkl/include$ sudo chmod +r mkl_vml.fi =Fixes the read access [sudo] password for username: username at computername:/opt/intel/composer_xe_2013.2.146/mkl/include$ ls -l mkl_vml.fi -r--r--r-- 1 root root 1373 Jan 25 06:10 mkl_vml.fi = File exists and has read access The prevent a different problem, I suggest changing -LD_LIBRARY_PATH= to -L in the Compiler options line. On 3/17/2013 11:20 PM, Mathrubutham Rajagopalan wrote: Dear Dr Gavin, Thanks for your response As per your suggestion I modified but still I am getting the same error can not open include file mkl_vml_fi Will you kindly suggest Regards and greetings Rajagopalan On Fri, Mar 15, 2013 at 6:25 AM, Gavin Abo gsabo at crimson.ua.edu mailto:gsabo at crimson.ua.edu wrote: Try the following shown below. On 3/15/2013 1:01 AM, Mathrubutham Rajagopalan wrote: Dear Developers and Users, Recently we purchased a DELL power edge T620 server . We have installed Ubuntu 12.04LS OS and for the ifort and mkl we used Composer_xe_2013.2.146 options used: Compiler options: -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML - LD_LIBRARY_PATH=/opt/intel/composer_xe_2013.2.146/mkl/lib/intel64-I/opt/intel/composer_xe_2013.2.146/mkl/include R_LIB (LAPACK+BLAS):-lmkl_lapack95_lp64 -lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core -openmp -lpthread we tried to install Wien2k_12.1 version and we are getting the following errors, which is attached herewith. kindly suggest how to rectify the errors. Thanking you in advance */ Dr M.Rajagopalan Emeritus Scientist (CSIR) Crystal Growth Center20 6th Main Road Anna University Chromepet Chennai 600 025 Chennai 600 044 Phone # 22213023 (R) 22359208 (O) Mobile 9445125709 /* ___ Wien mailing list Wien at zeus.theochem.tuwien.ac.at mailto:Wien at zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien -- */ Dr M.Rajagopalan Emeritus Scientist (CSIR) Crystal Growth Center20 6th Main Road Anna University Chromepet Chennai 600 025 Chennai 600 044 Phone # 22213023 (R) 22359208 (O) Mobile 9445125709 /* -- next part -- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20130318/83df1dd8/attachment.htm
[Wien] error in compilation
Dear Developers and Users, Recently we purchased a DELL power edge T620 server . We have installed Ubuntu 12.04LS OS and for the ifort and mkl we used Composer_xe_2013.2.146 options used: Compiler options: -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML - LD_LIBRARY_PATH=/opt/intel/composer_xe_2013.2.146/mkl/lib/intel64 R_LIB (LAPACK+BLAS):-lmkl_lapack95_lp64 -lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core -lpthread we tried to install Wien2k_12.1 version and we are getting the following errors, which is attached herewith. kindly suggest how to rectify the errors. Thanking you in advance * Dr M.Rajagopalan Emeritus Scientist (CSIR) Crystal Growth Center20 6th Main Road Anna University Chromepet Chennai 600 025 Chennai 600 044 Phone # 22213023 (R) 22359208 (O) Mobile 9445125709 * -- next part -- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20130315/1d219b60/attachment.htm -- next part -- A non-text attachment was scrubbed... Name: compilation errors Type: application/octet-stream Size: 3142 bytes Desc: not available URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20130315/1d219b60/attachment.dll
[Wien] error in compilation
Try the following shown below. On 3/15/2013 1:01 AM, Mathrubutham Rajagopalan wrote: Dear Developers and Users, Recently we purchased a DELL power edge T620 server . We have installed Ubuntu 12.04LS OS and for the ifort and mkl we used Composer_xe_2013.2.146 options used: Compiler options: -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML - LD_LIBRARY_PATH=/opt/intel/composer_xe_2013.2.146/mkl/lib/intel64-I/opt/intel/composer_xe_2013.2.146/mkl/include R_LIB (LAPACK+BLAS):-lmkl_lapack95_lp64 -lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core -openmp -lpthread we tried to install Wien2k_12.1 version and we are getting the following errors, which is attached herewith. kindly suggest how to rectify the errors. Thanking you in advance */ Dr M.Rajagopalan Emeritus Scientist (CSIR) Crystal Growth Center20 6th Main Road Anna University Chromepet Chennai 600 025 Chennai 600 044 Phone # 22213023 (R) 22359208 (O) Mobile 9445125709 /* -- next part -- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20130315/a726b5b5/attachment.htm
[Wien] error in compilation
Dear Wien user in wien12 compilation with ifort 11.1 073 and impi 4 in fedora 16 system; i've found lot of error of libmkl not found. ld: cannot find -libmkl_blas95.a ld: cannot find -libmkl_lapack95.a ld: cannot find -libmkl_cdft_core.a ld: cannot find -libmkl_intel.a ld: cannot find -libmkl_sequential.a ld: cannot find -libmkl_core.a ld: cannot find -libmkl_blacs_intelmpi.a *Remark : in ./siteconfig_lapw; wien2k know all files of mkl library* * the ld.so.conf file is:* include ld.so.conf.d/*.conf /usr/lib/ /usr/lib/mpich2/lib/ /opt/intel/Compiler/11.1/073/mkl/lib/32 /opt/intel/Compiler/11.1/073/lib/ia32 /opt/intel/impi/4.1.0.024/lib *and bash is configured like this* source /opt/intel/Compiler/11.1/073/bin/ifortvars.sh ia32 source /opt/intel/Compiler/11.1/073/mkl/tools/environment/mklvars32.sh ia32 LD_LIBRARY_PATH=/opt/intel/Compiler/11.1/073/mkl/lib/32 regards -- next part -- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20121227/b0477307/attachment.htm
[Wien] error in compilation
In siteconfig, it looks like you might have used an unrecognized format -libmkl_blas95.a. Try replacing lib with l for -lmkl_blas95 or without the dash in front libmkl_blas95.a. On 12/27/2012 11:50 AM, Chemam fa??al wrote: Dear Wien user in wien12 compilation with ifort 11.1 073 and impi 4 in fedora 16 system; i've found lot of error of libmkl not found. ld: cannot find -libmkl_blas95.a ld: cannot find -libmkl_lapack95.a ld: cannot find -libmkl_cdft_core.a ld: cannot find -libmkl_intel.a ld: cannot find -libmkl_sequential.a ld: cannot find -libmkl_core.a ld: cannot find -libmkl_blacs_intelmpi.a */_Remark : in ./siteconfig_lapw; wien2k know all files of mkl library_/* * the ld.so.conf file is:* include ld.so.conf.d/*.conf /usr/lib/ /usr/lib/mpich2/lib/ /opt/intel/Compiler/11.1/073/mkl/lib/32 /opt/intel/Compiler/11.1/073/lib/ia32 /opt/intel/impi/4.1.0.024/lib http://4.1.0.024/lib *and bash is configured like this* source /opt/intel/Compiler/11.1/073/bin/ifortvars.sh ia32 source /opt/intel/Compiler/11.1/073/mkl/tools/environment/mklvars32.sh ia32 LD_LIBRARY_PATH=/opt/intel/Compiler/11.1/073/mkl/lib/32 regards ___ Wien mailing list Wien at zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien -- next part -- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20121227/db1fbd11/attachment.htm
[Wien] error during compilation (siteconfig_lapw)
I guess you mix arbitrarily options from different Versions, why don't you use the suggestions of Intel http://software.intel.com/en-us/articles/intel-mkl-link-line-advisor/ it is hard to estimate which options you need, without knowing for example what memory model, you like to use The composer should come with IFORT and MKL, so I do not see any reason why you use an old outdated fc 10.1 version. if you use a 32 bit system (why to use the 32 bit version on a modern core duo processor at all ?) then I am sure that the next error message that you have will be a segmentation fault (search this forum and you will find the questions and answers very often) Ciao Gerhard Dr. Gerhard H. Fecher Institut of Inorganic and Analytical Chemistry Johannes Gutenberg - University 55099 Mainz Von: wien-bounces at zeus.theochem.tuwien.ac.at [wien-bounces at zeus.theochem.tuwien.ac.at]quot; im Auftrag von quot;shamik chakrabarti [shamikphy at gmail.com] Gesendet: Dienstag, 31. Mai 2011 18:26 Bis: A Mailing list for WIEN2k users Betreff: Re: [Wien] error during compilation (siteconfig_lapw) Dear Dr. Gerhard Fecher, Dr. Ramkumar Thapa and wien2k users, We have tried to install the compilers come in same package in the laptop but always get failed to install mkl. Then we have downloaded the above mentioned version of mkl (composerxe-2011.4.191) and able to install it in this system. We have previously installed fc and mkl under home directory in other systems and we have found no problems there. It is in this laptop only we are facing problem. Sir is anything wrong in the given compiler options?. we can guess the problem is coming from the two links below (1) LDFLAGS:-L/home/avijitghosh/intel/fc/10.1.018/lib -static-intel -Bstatic -lguide -lguide_stats -lsvml -Bdynamic -lpthread (2) R_LIBS:-L/home/avijitghosh/intel/composerxe-2011.4.191/mkl/lib/ia32 -Bstatic -lmkl_lapack -lmkl_ia32 -Bdynamic -lpthread We are still getting the errors and not able to figure it out. Any response in this regard will be appreciated. Thanking you, with best regards, Shamik Chakrabarti 2011/5/31 Ramkumar Thapa r.k.thapa at gmail.commailto:r.k.thapa at gmail.com Dear Dr. Gerhard, You are right but then usually compilers like ifc and mkl's are installed under root only. R.K.Thapa === On Tue, May 31, 2011 at 1:00 PM, Gerhard Fecher fecher at uni-mainz.demailto:fecher at uni-mainz.de wrote: Thats a matter of taste, there is no need that the compiler is in a special directory, you just have to ensure that your environment variables are set correctly. Ciao Gerhard Dr. Gerhard H. Fecher Institut of Inorganic and Analytical Chemistry Johannes Gutenberg - University 55099 Mainz Von: wien-bounces at zeus.theochem.tuwien.ac.atmailto:wien-bounces at zeus.theochem.tuwien.ac.at [wien-bounces at zeus.theochem.tuwien.ac.atmailto:wien-bounces at zeus.theochem.tuwien.ac.at]quot; im Auftrag von quot;Ramkumar Thapa [r.k.thapa at gmail.commailto:r.k.thapa at gmail.com] Gesendet: Dienstag, 31. Mai 2011 09:24 Bis: A Mailing list for WIEN2k users Betreff: Re: [Wien] error during compilation (siteconfig_lapw) Dear Shamik, Your options : current:LDFLAGS:-L/home/avijitghosh/intel/fc/10.1.018/lib -static-intel -Bstatic -lguide -lguide_stats -lsvml -Bdynamic -lpthread current:DPARALLEL:'-DParallel' current:R_LIBS:-L/home/avijitghosh/intel/composerxe-2011.4.191/mkl/lib/ia32 -Bstatic -lmkl_lapack -lmkl_ia32 -Bdynamic -lpthread -- in red should be under root NOT in /home/avijitghosh. While installing your compiler and mkl files, you must have been under root. Best wishes, R.K.Thapa Mizoram University 2011/5/31 shamik chakrabarti shamikphy at gmail.commailto:shamikphy at gmail.commailto:shamikphy at gmail.commailto:shamikphy at gmail.com Dear Dr. Peter Blaha Sir and Wien2k users, We are trying to install wien2k in a COMPAQ Laptop having core2duo processor. During siteconfig_lapw we have received the following error : Compile time errors (if any) were: SRC_aim/compile.msg:make[1]: *** [aim] Error 1 SRC_aim/compile.msg:make: *** [real] Error 2 SRC_aim/compile.msg:make[1]: *** [aimc] Error 1 SRC_aim/compile.msg:make: *** [complex] Error 2 SRC_cif2struct/compile.msg:make: *** [cif2struct] Error 1 SRC_lapw1/compile.msg:make[1]: *** [lapw1] Error 1 SRC_lapw1/compile.msg:make: *** [real] Error 2 SRC_lapw1/compile.msg:make[1]: *** [lapw1c] Error 1 SRC_lapw1/compile.msg:make: *** [complex] Error 2 SRC_lapw2/compile.msg:make[1]: *** [lapw2] Error 1 SRC_lapw2/compile.msg:make: *** [real] Error 2 SRC_lapw2/compile.msg:make[1]: *** [lapw2c] Error 1 SRC_lapw2/compile.msg:make: *** [complex] Error 2 SRC_lapwdm/compile.msg:make[1]: *** [lapwdm] Error 1 SRC_lapwdm/compile.msg:make: *** [real] Error 2 SRC_lapwdm/compile.msg:make
[Wien] error during compilation (siteconfig_lapw)
Dear Dr. Peter Blaha Sir and Wien2k users, We are trying to install wien2k in a COMPAQ Laptop having core2duo processor. During siteconfig_lapw we have received the following error : Compile time errors (if any) were: SRC_aim/compile.msg:make[1]: *** [aim] Error 1 SRC_aim/compile.msg:make: *** [real] Error 2 SRC_aim/compile.msg:make[1]: *** [aimc] Error 1 SRC_aim/compile.msg:make: *** [complex] Error 2 SRC_cif2struct/compile.msg:make: *** [cif2struct] Error 1 SRC_lapw1/compile.msg:make[1]: *** [lapw1] Error 1 SRC_lapw1/compile.msg:make: *** [real] Error 2 SRC_lapw1/compile.msg:make[1]: *** [lapw1c] Error 1 SRC_lapw1/compile.msg:make: *** [complex] Error 2 SRC_lapw2/compile.msg:make[1]: *** [lapw2] Error 1 SRC_lapw2/compile.msg:make: *** [real] Error 2 SRC_lapw2/compile.msg:make[1]: *** [lapw2c] Error 1 SRC_lapw2/compile.msg:make: *** [complex] Error 2 SRC_lapwdm/compile.msg:make[1]: *** [lapwdm] Error 1 SRC_lapwdm/compile.msg:make: *** [real] Error 2 SRC_lapwdm/compile.msg:make[1]: *** [lapwdmc] Error 1 SRC_lapwdm/compile.msg:make: *** [complex] Error 2 SRC_lapwso/compile.msg:make: *** [lapwso] Error 1 SRC_mini/compile.msg:make: *** [mini] Error 1 SRC_pairhess/compile.msg:make: *** [pairhess] Error 1 SRC_qtl/compile.msg:make: *** [qtl] Error 1 SRC_spacegroup/compile.msg:make: *** [spacegroup] Error 1 SRC_structeditor/SRC_ncmsymmetry/compile.msg:make: *** [ncmsymmetry] Error 1 SRC_structeditor/SRC_structgen/compile.msg:make: *** [structgen] Error 1 *We check accordingly compile.msg files and are giving relevant area for your consideration:* CheckCSpline.f(162): (col. 17) remark: LOOP WAS VECTORIZED. CheckCSpline.f(173): (col. 17) remark: LOOP WAS VECTORIZED. CheckCSpline.f(1): (col. 18) remark: checkcspline_ has been targeted for automatic cpu dispatch. ifort -o ./aim moduls.o charge.o gbass.o gener.o aim.o main1.o outin.o radial.o reduc.o rsur.o rotat.o rotate.o rotato.o rotdef1.o sternb.o sum.o vnorm.o ylm.o dtylm.o sumd.o grhosphe.o dradial.o gen_change.o rotat_back.o rotate_back.o gen_brav.o interst.o sphere.o init.o onestep.o rsurf.o gauleg.o critic.o surf.o integrho.o follow.o interp.o cputim.o jacobi.o ludcmp.o spline.o doit.o dtdtylm.o sumdd.o hrhosphe.o matprod.o readcs.o dipole.o rho.o cossin.o intlib.o davint.o d1mach.o sortag.o follown.o SplineFit.o CheckCSpline.o -L/home/avijitghosh/intel/fc/10.1.018/lib -static-intel -Bstatic -lguide -lguide_stats -lsvml -Bdynamic -lpthread -L/home/avijitghosh/intel/composerxe-2011.4.191/mkl/lib/ia32 -Bstatic -lmkl_lapack -lmkl_ia32 -Bdynamic -lpthread follown.o: In function `maxeigen_.J': follown.f:(.text+0xcf): undefined reference to `dsyev_' follown.o: In function `maxeigen_.A': follown.f:(.text+0x1e3): undefined reference to `dsyev_' follown.o: In function `stepper_.J': follown.f:(.text+0x320): undefined reference to `dsyev_' follown.o: In function `stepper_.A': follown.f:(.text+0x61f): undefined reference to `dsyev_' follown.o: In function `follown_.J': follown.f:(.text+0xe35): undefined reference to `dsyev_' follown.o:follown.f:(.text+0x1adb): more undefined references to `dsyev_' follow make[1]: *** [aim] Error 1 make[1]: Leaving directory `/home/avijitghosh/Desktop/Wien2K_30-12-08/WIEN2k/SRC_aim' make: *** [real] Error 2 if [ -f .real ]; then \ make clean; \ *Below we are giving the compiler options*: current:FOPT:-FR -mp1 -w -prec_div -pad -ip -O3 -axTW -traceback current:FPOPT:$(FOPT) current:LDFLAGS:-L/home/avijitghosh/intel/fc/10.1.018/lib -static-intel -Bstatic -lguide -lguide_stats -lsvml -Bdynamic -lpthread current:DPARALLEL:'-DParallel' current:R_LIBS:-L/home/avijitghosh/intel/composerxe-2011.4.191/mkl/lib/ia32 -Bstatic -lmkl_lapack -lmkl_ia32 -Bdynamic -lpthread current:RP_LIBS:-lmkl_intel_lp64 -lmkl_scalapack_lp64 -lmkl_blacs_lp64 -lmkl_sequential -lmkl_em64t any response in this regard will be very helpful for us. Thanks in advance. with best regards, -- Shamik Chakrabarti Research Scholar Dept. of Physics Meteorology Material Processing Solid State Ionics Lab IIT Kharagpur Kharagpur 721302 INDIA -- next part -- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20110531/f55a9855/attachment-0001.htm
[Wien] error during compilation (siteconfig_lapw)
Dear Shamik, Your options : current:LDFLAGS:-L/home/avijitghosh/intel/fc/10.1.018/lib -static-intel -Bstatic -lguide -lguide_stats -lsvml -Bdynamic -lpthread current:DPARALLEL:'-DParallel' current:R_LIBS:-L/home/avijitghosh/intel/composerxe-2011.4.191/mkl/lib/ia32 -Bstatic -lmkl_lapack -lmkl_ia32 -Bdynamic -lpthread -- *in red should be under root NOT in /home/avijitghosh.* While installing your compiler and mkl files, you must have been under root. Best wishes, R.K.Thapa Mizoram University 2011/5/31 shamik chakrabarti shamikphy at gmail.com Dear Dr. Peter Blaha Sir and Wien2k users, We are trying to install wien2k in a COMPAQ Laptop having core2duo processor. During siteconfig_lapw we have received the following error : Compile time errors (if any) were: SRC_aim/compile.msg:make[1]: *** [aim] Error 1 SRC_aim/compile.msg:make: *** [real] Error 2 SRC_aim/compile.msg:make[1]: *** [aimc] Error 1 SRC_aim/compile.msg:make: *** [complex] Error 2 SRC_cif2struct/compile.msg:make: *** [cif2struct] Error 1 SRC_lapw1/compile.msg:make[1]: *** [lapw1] Error 1 SRC_lapw1/compile.msg:make: *** [real] Error 2 SRC_lapw1/compile.msg:make[1]: *** [lapw1c] Error 1 SRC_lapw1/compile.msg:make: *** [complex] Error 2 SRC_lapw2/compile.msg:make[1]: *** [lapw2] Error 1 SRC_lapw2/compile.msg:make: *** [real] Error 2 SRC_lapw2/compile.msg:make[1]: *** [lapw2c] Error 1 SRC_lapw2/compile.msg:make: *** [complex] Error 2 SRC_lapwdm/compile.msg:make[1]: *** [lapwdm] Error 1 SRC_lapwdm/compile.msg:make: *** [real] Error 2 SRC_lapwdm/compile.msg:make[1]: *** [lapwdmc] Error 1 SRC_lapwdm/compile.msg:make: *** [complex] Error 2 SRC_lapwso/compile.msg:make: *** [lapwso] Error 1 SRC_mini/compile.msg:make: *** [mini] Error 1 SRC_pairhess/compile.msg:make: *** [pairhess] Error 1 SRC_qtl/compile.msg:make: *** [qtl] Error 1 SRC_spacegroup/compile.msg:make: *** [spacegroup] Error 1 SRC_structeditor/SRC_ncmsymmetry/compile.msg:make: *** [ncmsymmetry] Error 1 SRC_structeditor/SRC_structgen/compile.msg:make: *** [structgen] Error 1 *We check accordingly compile.msg files and are giving relevant area for your consideration:* CheckCSpline.f(162): (col. 17) remark: LOOP WAS VECTORIZED. CheckCSpline.f(173): (col. 17) remark: LOOP WAS VECTORIZED. CheckCSpline.f(1): (col. 18) remark: checkcspline_ has been targeted for automatic cpu dispatch. ifort -o ./aim moduls.o charge.o gbass.o gener.o aim.o main1.o outin.o radial.o reduc.o rsur.o rotat.o rotate.o rotato.o rotdef1.o sternb.o sum.o vnorm.o ylm.o dtylm.o sumd.o grhosphe.o dradial.o gen_change.o rotat_back.o rotate_back.o gen_brav.o interst.o sphere.o init.o onestep.o rsurf.o gauleg.o critic.o surf.o integrho.o follow.o interp.o cputim.o jacobi.o ludcmp.o spline.o doit.o dtdtylm.o sumdd.o hrhosphe.o matprod.o readcs.o dipole.o rho.o cossin.o intlib.o davint.o d1mach.o sortag.o follown.o SplineFit.o CheckCSpline.o -L/home/avijitghosh/intel/fc/10.1.018/lib -static-intel -Bstatic -lguide -lguide_stats -lsvml -Bdynamic -lpthread -L/home/avijitghosh/intel/composerxe-2011.4.191/mkl/lib/ia32 -Bstatic -lmkl_lapack -lmkl_ia32 -Bdynamic -lpthread follown.o: In function `maxeigen_.J': follown.f:(.text+0xcf): undefined reference to `dsyev_' follown.o: In function `maxeigen_.A': follown.f:(.text+0x1e3): undefined reference to `dsyev_' follown.o: In function `stepper_.J': follown.f:(.text+0x320): undefined reference to `dsyev_' follown.o: In function `stepper_.A': follown.f:(.text+0x61f): undefined reference to `dsyev_' follown.o: In function `follown_.J': follown.f:(.text+0xe35): undefined reference to `dsyev_' follown.o:follown.f:(.text+0x1adb): more undefined references to `dsyev_' follow make[1]: *** [aim] Error 1 make[1]: Leaving directory `/home/avijitghosh/Desktop/Wien2K_30-12-08/WIEN2k/SRC_aim' make: *** [real] Error 2 if [ -f .real ]; then \ make clean; \ *Below we are giving the compiler options*: current:FOPT:-FR -mp1 -w -prec_div -pad -ip -O3 -axTW -traceback current:FPOPT:$(FOPT) current:LDFLAGS:-L/home/avijitghosh/intel/fc/10.1.018/lib -static-intel -Bstatic -lguide -lguide_stats -lsvml -Bdynamic -lpthread current:DPARALLEL:'-DParallel' current:R_LIBS:-L/home/avijitghosh/intel/composerxe-2011.4.191/mkl/lib/ia32 -Bstatic -lmkl_lapack -lmkl_ia32 -Bdynamic -lpthread current:RP_LIBS:-lmkl_intel_lp64 -lmkl_scalapack_lp64 -lmkl_blacs_lp64 -lmkl_sequential -lmkl_em64t any response in this regard will be very helpful for us. Thanks in advance. with best regards, -- Shamik Chakrabarti Research Scholar Dept. of Physics Meteorology Material Processing Solid State Ionics Lab IIT Kharagpur Kharagpur 721302 INDIA ___ Wien mailing list Wien at zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien -- next part
[Wien] error during compilation (siteconfig_lapw)
why do you try to mix libraries from completely different compiler/mkl versions instead of using ifort and mkl that come in one package ? check http://software.intel.com/en-us/articles/intel-mkl-link-line-advisor/ for the correct mkl settings Ciao Gerhard Dr. Gerhard H. Fecher Institut of Inorganic and Analytical Chemistry Johannes Gutenberg - University 55099 Mainz Von: wien-bounces at zeus.theochem.tuwien.ac.at [wien-bounces at zeus.theochem.tuwien.ac.at]quot; im Auftrag von quot;shamik chakrabarti [shamikphy at gmail.com] Gesendet: Dienstag, 31. Mai 2011 08:57 Bis: A Mailing list for WIEN2k users Betreff: [Wien] error during compilation (siteconfig_lapw) Dear Dr. Peter Blaha Sir and Wien2k users, We are trying to install wien2k in a COMPAQ Laptop having core2duo processor. During siteconfig_lapw we have received the following error : Compile time errors (if any) were: SRC_aim/compile.msg:make[1]: *** [aim] Error 1 SRC_aim/compile.msg:make: *** [real] Error 2 SRC_aim/compile.msg:make[1]: *** [aimc] Error 1 SRC_aim/compile.msg:make: *** [complex] Error 2 SRC_cif2struct/compile.msg:make: *** [cif2struct] Error 1 SRC_lapw1/compile.msg:make[1]: *** [lapw1] Error 1 SRC_lapw1/compile.msg:make: *** [real] Error 2 SRC_lapw1/compile.msg:make[1]: *** [lapw1c] Error 1 SRC_lapw1/compile.msg:make: *** [complex] Error 2 SRC_lapw2/compile.msg:make[1]: *** [lapw2] Error 1 SRC_lapw2/compile.msg:make: *** [real] Error 2 SRC_lapw2/compile.msg:make[1]: *** [lapw2c] Error 1 SRC_lapw2/compile.msg:make: *** [complex] Error 2 SRC_lapwdm/compile.msg:make[1]: *** [lapwdm] Error 1 SRC_lapwdm/compile.msg:make: *** [real] Error 2 SRC_lapwdm/compile.msg:make[1]: *** [lapwdmc] Error 1 SRC_lapwdm/compile.msg:make: *** [complex] Error 2 SRC_lapwso/compile.msg:make: *** [lapwso] Error 1 SRC_mini/compile.msg:make: *** [mini] Error 1 SRC_pairhess/compile.msg:make: *** [pairhess] Error 1 SRC_qtl/compile.msg:make: *** [qtl] Error 1 SRC_spacegroup/compile.msg:make: *** [spacegroup] Error 1 SRC_structeditor/SRC_ncmsymmetry/compile.msg:make: *** [ncmsymmetry] Error 1 SRC_structeditor/SRC_structgen/compile.msg:make: *** [structgen] Error 1 We check accordingly compile.msg files and are giving relevant area for your consideration: CheckCSpline.f(162): (col. 17) remark: LOOP WAS VECTORIZED. CheckCSpline.f(173): (col. 17) remark: LOOP WAS VECTORIZED. CheckCSpline.f(1): (col. 18) remark: checkcspline_ has been targeted for automatic cpu dispatch. ifort -o ./aim moduls.o charge.o gbass.o gener.o aim.o main1.o outin.o radial.o reduc.o rsur.o rotat.o rotate.o rotato.o rotdef1.o sternb.o sum.o vnorm.o ylm.o dtylm.o sumd.o grhosphe.o dradial.o gen_change.o rotat_back.o rotate_back.o gen_brav.o interst.o sphere.o init.o onestep.o rsurf.o gauleg.o critic.o surf.o integrho.o follow.o interp.o cputim.o jacobi.o ludcmp.o spline.o doit.o dtdtylm.o sumdd.o hrhosphe.o matprod.o readcs.o dipole.o rho.o cossin.o intlib.o davint.o d1mach.o sortag.o follown.o SplineFit.o CheckCSpline.o -L/home/avijitghosh/intel/fc/10.1.018/lib -static-intel -Bstatic -lguide -lguide_stats -lsvml -Bdynamic -lpthread -L/home/avijitghosh/intel/composerxe-2011.4.191/mkl/lib/ia32 -Bstatic -lmkl_lapack -lmkl_ia32 -Bdynamic -lpthread follown.o: In function `maxeigen_.J': follown.f:(.text+0xcf): undefined reference to `dsyev_' follown.o: In function `maxeigen_.A': follown.f:(.text+0x1e3): undefined reference to `dsyev_' follown.o: In function `stepper_.J': follown.f:(.text+0x320): undefined reference to `dsyev_' follown.o: In function `stepper_.A': follown.f:(.text+0x61f): undefined reference to `dsyev_' follown.o: In function `follown_.J': follown.f:(.text+0xe35): undefined reference to `dsyev_' follown.o:follown.f:(.text+0x1adb): more undefined references to `dsyev_' follow make[1]: *** [aim] Error 1 make[1]: Leaving directory `/home/avijitghosh/Desktop/Wien2K_30-12-08/WIEN2k/SRC_aim' make: *** [real] Error 2 if [ -f .real ]; then \ make clean; \ Below we are giving the compiler options: current:FOPT:-FR -mp1 -w -prec_div -pad -ip -O3 -axTW -traceback current:FPOPT:$(FOPT) current:LDFLAGS:-L/home/avijitghosh/intel/fc/10.1.018/lib -static-intel -Bstatic -lguide -lguide_stats -lsvml -Bdynamic -lpthread current:DPARALLEL:'-DParallel' current:R_LIBS:-L/home/avijitghosh/intel/composerxe-2011.4.191/mkl/lib/ia32 -Bstatic -lmkl_lapack -lmkl_ia32 -Bdynamic -lpthread current:RP_LIBS:-lmkl_intel_lp64 -lmkl_scalapack_lp64 -lmkl_blacs_lp64 -lmkl_sequential -lmkl_em64t any response in this regard will be very helpful for us. Thanks in advance. with best regards, -- Shamik Chakrabarti Research Scholar Dept. of Physics Meteorology Material Processing Solid State Ionics Lab IIT Kharagpur Kharagpur 721302 INDIA
[Wien] error during compilation (siteconfig_lapw)
Thats a matter of taste, there is no need that the compiler is in a special directory, you just have to ensure that your environment variables are set correctly. Ciao Gerhard Dr. Gerhard H. Fecher Institut of Inorganic and Analytical Chemistry Johannes Gutenberg - University 55099 Mainz Von: wien-bounces at zeus.theochem.tuwien.ac.at [wien-bounces at zeus.theochem.tuwien.ac.at]quot; im Auftrag von quot;Ramkumar Thapa [r.k.thapa at gmail.com] Gesendet: Dienstag, 31. Mai 2011 09:24 Bis: A Mailing list for WIEN2k users Betreff: Re: [Wien] error during compilation (siteconfig_lapw) Dear Shamik, Your options : current:LDFLAGS:-L/home/avijitghosh/intel/fc/10.1.018/lib -static-intel -Bstatic -lguide -lguide_stats -lsvml -Bdynamic -lpthread current:DPARALLEL:'-DParallel' current:R_LIBS:-L/home/avijitghosh/intel/composerxe-2011.4.191/mkl/lib/ia32 -Bstatic -lmkl_lapack -lmkl_ia32 -Bdynamic -lpthread -- in red should be under root NOT in /home/avijitghosh. While installing your compiler and mkl files, you must have been under root. Best wishes, R.K.Thapa Mizoram University 2011/5/31 shamik chakrabarti shamikphy at gmail.commailto:shamikphy at gmail.com Dear Dr. Peter Blaha Sir and Wien2k users, We are trying to install wien2k in a COMPAQ Laptop having core2duo processor. During siteconfig_lapw we have received the following error : Compile time errors (if any) were: SRC_aim/compile.msg:make[1]: *** [aim] Error 1 SRC_aim/compile.msg:make: *** [real] Error 2 SRC_aim/compile.msg:make[1]: *** [aimc] Error 1 SRC_aim/compile.msg:make: *** [complex] Error 2 SRC_cif2struct/compile.msg:make: *** [cif2struct] Error 1 SRC_lapw1/compile.msg:make[1]: *** [lapw1] Error 1 SRC_lapw1/compile.msg:make: *** [real] Error 2 SRC_lapw1/compile.msg:make[1]: *** [lapw1c] Error 1 SRC_lapw1/compile.msg:make: *** [complex] Error 2 SRC_lapw2/compile.msg:make[1]: *** [lapw2] Error 1 SRC_lapw2/compile.msg:make: *** [real] Error 2 SRC_lapw2/compile.msg:make[1]: *** [lapw2c] Error 1 SRC_lapw2/compile.msg:make: *** [complex] Error 2 SRC_lapwdm/compile.msg:make[1]: *** [lapwdm] Error 1 SRC_lapwdm/compile.msg:make: *** [real] Error 2 SRC_lapwdm/compile.msg:make[1]: *** [lapwdmc] Error 1 SRC_lapwdm/compile.msg:make: *** [complex] Error 2 SRC_lapwso/compile.msg:make: *** [lapwso] Error 1 SRC_mini/compile.msg:make: *** [mini] Error 1 SRC_pairhess/compile.msg:make: *** [pairhess] Error 1 SRC_qtl/compile.msg:make: *** [qtl] Error 1 SRC_spacegroup/compile.msg:make: *** [spacegroup] Error 1 SRC_structeditor/SRC_ncmsymmetry/compile.msg:make: *** [ncmsymmetry] Error 1 SRC_structeditor/SRC_structgen/compile.msg:make: *** [structgen] Error 1 We check accordingly compile.msg files and are giving relevant area for your consideration: CheckCSpline.f(162): (col. 17) remark: LOOP WAS VECTORIZED. CheckCSpline.f(173): (col. 17) remark: LOOP WAS VECTORIZED. CheckCSpline.f(1): (col. 18) remark: checkcspline_ has been targeted for automatic cpu dispatch. ifort -o ./aim moduls.o charge.o gbass.o gener.o aim.o main1.o outin.o radial.o reduc.o rsur.o rotat.o rotate.o rotato.o rotdef1.o sternb.o sum.o vnorm.o ylm.o dtylm.o sumd.o grhosphe.o dradial.o gen_change.o rotat_back.o rotate_back.o gen_brav.o interst.o sphere.o init.o onestep.o rsurf.o gauleg.o critic.o surf.o integrho.o follow.o interp.o cputim.o jacobi.o ludcmp.o spline.o doit.o dtdtylm.o sumdd.o hrhosphe.o matprod.o readcs.o dipole.o rho.o cossin.o intlib.o davint.o d1mach.o sortag.o follown.o SplineFit.o CheckCSpline.o -L/home/avijitghosh/intel/fc/10.1.018/lib -static-intel -Bstatic -lguide -lguide_stats -lsvml -Bdynamic -lpthread -L/home/avijitghosh/intel/composerxe-2011.4.191/mkl/lib/ia32 -Bstatic -lmkl_lapack -lmkl_ia32 -Bdynamic -lpthread follown.o: In function `maxeigen_.J': follown.f:(.text+0xcf): undefined reference to `dsyev_' follown.o: In function `maxeigen_.A': follown.f:(.text+0x1e3): undefined reference to `dsyev_' follown.o: In function `stepper_.J': follown.f:(.text+0x320): undefined reference to `dsyev_' follown.o: In function `stepper_.A': follown.f:(.text+0x61f): undefined reference to `dsyev_' follown.o: In function `follown_.J': follown.f:(.text+0xe35): undefined reference to `dsyev_' follown.o:follown.f:(.text+0x1adb): more undefined references to `dsyev_' follow make[1]: *** [aim] Error 1 make[1]: Leaving directory `/home/avijitghosh/Desktop/Wien2K_30-12-08/WIEN2k/SRC_aim' make: *** [real] Error 2 if [ -f .real ]; then \ make clean; \ Below we are giving the compiler options: current:FOPT:-FR -mp1 -w -prec_div -pad -ip -O3 -axTW -traceback current:FPOPT:$(FOPT) current:LDFLAGS:-L/home/avijitghosh/intel/fc/10.1.018/lib -static-intel -Bstatic -lguide -lguide_stats -lsvml -Bdynamic -lpthread current:DPARALLEL:'-DParallel' current:R_LIBS:-L/home/avijitghosh/intel/composerxe-2011.4.191/mkl/lib/ia32 -Bstatic -lmkl_lapack
[Wien] error during compilation (siteconfig_lapw)
Dear Dr. Gerhard, You are right but then usually compilers like ifc and mkl's are installed under root only. R.K.Thapa === On Tue, May 31, 2011 at 1:00 PM, Gerhard Fecher fecher at uni-mainz.de wrote: Thats a matter of taste, there is no need that the compiler is in a special directory, you just have to ensure that your environment variables are set correctly. Ciao Gerhard Dr. Gerhard H. Fecher Institut of Inorganic and Analytical Chemistry Johannes Gutenberg - University 55099 Mainz Von: wien-bounces at zeus.theochem.tuwien.ac.at [ wien-bounces at zeus.theochem.tuwien.ac.at]quot; im Auftrag von quot;Ramkumar Thapa [r.k.thapa at gmail.com] Gesendet: Dienstag, 31. Mai 2011 09:24 Bis: A Mailing list for WIEN2k users Betreff: Re: [Wien] error during compilation (siteconfig_lapw) Dear Shamik, Your options : current:LDFLAGS:-L/home/avijitghosh/intel/fc/10.1.018/lib -static-intel -Bstatic -lguide -lguide_stats -lsvml -Bdynamic -lpthread current:DPARALLEL:'-DParallel' current:R_LIBS:-L/home/avijitghosh/intel/composerxe-2011.4.191/mkl/lib/ia32 -Bstatic -lmkl_lapack -lmkl_ia32 -Bdynamic -lpthread -- in red should be under root NOT in /home/avijitghosh. While installing your compiler and mkl files, you must have been under root. Best wishes, R.K.Thapa Mizoram University 2011/5/31 shamik chakrabarti shamikphy at gmail.commailto: shamikphy at gmail.com Dear Dr. Peter Blaha Sir and Wien2k users, We are trying to install wien2k in a COMPAQ Laptop having core2duo processor. During siteconfig_lapw we have received the following error : Compile time errors (if any) were: SRC_aim/compile.msg:make[1]: *** [aim] Error 1 SRC_aim/compile.msg:make: *** [real] Error 2 SRC_aim/compile.msg:make[1]: *** [aimc] Error 1 SRC_aim/compile.msg:make: *** [complex] Error 2 SRC_cif2struct/compile.msg:make: *** [cif2struct] Error 1 SRC_lapw1/compile.msg:make[1]: *** [lapw1] Error 1 SRC_lapw1/compile.msg:make: *** [real] Error 2 SRC_lapw1/compile.msg:make[1]: *** [lapw1c] Error 1 SRC_lapw1/compile.msg:make: *** [complex] Error 2 SRC_lapw2/compile.msg:make[1]: *** [lapw2] Error 1 SRC_lapw2/compile.msg:make: *** [real] Error 2 SRC_lapw2/compile.msg:make[1]: *** [lapw2c] Error 1 SRC_lapw2/compile.msg:make: *** [complex] Error 2 SRC_lapwdm/compile.msg:make[1]: *** [lapwdm] Error 1 SRC_lapwdm/compile.msg:make: *** [real] Error 2 SRC_lapwdm/compile.msg:make[1]: *** [lapwdmc] Error 1 SRC_lapwdm/compile.msg:make: *** [complex] Error 2 SRC_lapwso/compile.msg:make: *** [lapwso] Error 1 SRC_mini/compile.msg:make: *** [mini] Error 1 SRC_pairhess/compile.msg:make: *** [pairhess] Error 1 SRC_qtl/compile.msg:make: *** [qtl] Error 1 SRC_spacegroup/compile.msg:make: *** [spacegroup] Error 1 SRC_structeditor/SRC_ncmsymmetry/compile.msg:make: *** [ncmsymmetry] Error 1 SRC_structeditor/SRC_structgen/compile.msg:make: *** [structgen] Error 1 We check accordingly compile.msg files and are giving relevant area for your consideration: CheckCSpline.f(162): (col. 17) remark: LOOP WAS VECTORIZED. CheckCSpline.f(173): (col. 17) remark: LOOP WAS VECTORIZED. CheckCSpline.f(1): (col. 18) remark: checkcspline_ has been targeted for automatic cpu dispatch. ifort -o ./aim moduls.o charge.o gbass.o gener.o aim.o main1.o outin.o radial.o reduc.o rsur.o rotat.o rotate.o rotato.o rotdef1.o sternb.o sum.o vnorm.o ylm.o dtylm.o sumd.o grhosphe.o dradial.o gen_change.o rotat_back.o rotate_back.o gen_brav.o interst.o sphere.o init.o onestep.o rsurf.o gauleg.o critic.o surf.o integrho.o follow.o interp.o cputim.o jacobi.o ludcmp.o spline.o doit.o dtdtylm.o sumdd.o hrhosphe.o matprod.o readcs.o dipole.o rho.o cossin.o intlib.o davint.o d1mach.o sortag.o follown.o SplineFit.o CheckCSpline.o -L/home/avijitghosh/intel/fc/10.1.018/lib -static-intel -Bstatic -lguide -lguide_stats -lsvml -Bdynamic -lpthread -L/home/avijitghosh/intel/composerxe-2011.4.191/mkl/lib/ia32 -Bstatic -lmkl_lapack -lmkl_ia32 -Bdynamic -lpthread follown.o: In function `maxeigen_.J': follown.f:(.text+0xcf): undefined reference to `dsyev_' follown.o: In function `maxeigen_.A': follown.f:(.text+0x1e3): undefined reference to `dsyev_' follown.o: In function `stepper_.J': follown.f:(.text+0x320): undefined reference to `dsyev_' follown.o: In function `stepper_.A': follown.f:(.text+0x61f): undefined reference to `dsyev_' follown.o: In function `follown_.J': follown.f:(.text+0xe35): undefined reference to `dsyev_' follown.o:follown.f:(.text+0x1adb): more undefined references to `dsyev_' follow make[1]: *** [aim] Error 1 make[1]: Leaving directory `/home/avijitghosh/Desktop/Wien2K_30-12-08/WIEN2k/SRC_aim' make: *** [real] Error 2 if [ -f .real ]; then \ make clean; \ Below we are giving the compiler options: current:FOPT:-FR -mp1 -w -prec_div -pad -ip -O3 -axTW
[Wien] error during compilation (siteconfig_lapw)
Dear Dr. Gerhard Fecher, Dr. Ramkumar Thapa and wien2k users, We have tried to install the compilers come in same package in the laptop but always get failed to install mkl. Then we have downloaded the above mentioned version of mkl (composerxe-2011.4.191) and able to install it in this system. We have previously installed fc and mkl under home directory in other systems and we have found no problems there. It is in this laptop only we are facing problem. Sir is anything wrong in the given compiler options?. we can guess the problem is coming from the two links below *(1) LDFLAGS:-L/home/avijitghosh/intel/fc/10.1.018/lib -static-intel -Bstatic -lguide -lguide_stats -lsvml -Bdynamic -lpthread* * * *(2) R_LIBS:-L/home/avijitghosh/intel/composerxe-2011.4.191/mkl/lib/ia32 -Bstatic -lmkl_lapack -lmkl_ia32 -Bdynamic -lpthread* * * We are still getting the errors and not able to figure it out. Any response in this regard will be appreciated. Thanking you, with best regards, Shamik Chakrabarti 2011/5/31 Ramkumar Thapa r.k.thapa at gmail.com Dear Dr. Gerhard, You are right but then usually compilers like ifc and mkl's are installed under root only. R.K.Thapa === On Tue, May 31, 2011 at 1:00 PM, Gerhard Fecher fecher at uni-mainz.dewrote: Thats a matter of taste, there is no need that the compiler is in a special directory, you just have to ensure that your environment variables are set correctly. Ciao Gerhard Dr. Gerhard H. Fecher Institut of Inorganic and Analytical Chemistry Johannes Gutenberg - University 55099 Mainz Von: wien-bounces at zeus.theochem.tuwien.ac.at [ wien-bounces at zeus.theochem.tuwien.ac.at]quot; im Auftrag von quot;Ramkumar Thapa [r.k.thapa at gmail.com] Gesendet: Dienstag, 31. Mai 2011 09:24 Bis: A Mailing list for WIEN2k users Betreff: Re: [Wien] error during compilation (siteconfig_lapw) Dear Shamik, Your options : current:LDFLAGS:-L/home/avijitghosh/intel/fc/10.1.018/lib -static-intel -Bstatic -lguide -lguide_stats -lsvml -Bdynamic -lpthread current:DPARALLEL:'-DParallel' current:R_LIBS:-L/home/avijitghosh/intel/composerxe-2011.4.191/mkl/lib/ia32 -Bstatic -lmkl_lapack -lmkl_ia32 -Bdynamic -lpthread -- in red should be under root NOT in /home/avijitghosh. While installing your compiler and mkl files, you must have been under root. Best wishes, R.K.Thapa Mizoram University 2011/5/31 shamik chakrabarti shamikphy at gmail.commailto: shamikphy at gmail.com Dear Dr. Peter Blaha Sir and Wien2k users, We are trying to install wien2k in a COMPAQ Laptop having core2duo processor. During siteconfig_lapw we have received the following error : Compile time errors (if any) were: SRC_aim/compile.msg:make[1]: *** [aim] Error 1 SRC_aim/compile.msg:make: *** [real] Error 2 SRC_aim/compile.msg:make[1]: *** [aimc] Error 1 SRC_aim/compile.msg:make: *** [complex] Error 2 SRC_cif2struct/compile.msg:make: *** [cif2struct] Error 1 SRC_lapw1/compile.msg:make[1]: *** [lapw1] Error 1 SRC_lapw1/compile.msg:make: *** [real] Error 2 SRC_lapw1/compile.msg:make[1]: *** [lapw1c] Error 1 SRC_lapw1/compile.msg:make: *** [complex] Error 2 SRC_lapw2/compile.msg:make[1]: *** [lapw2] Error 1 SRC_lapw2/compile.msg:make: *** [real] Error 2 SRC_lapw2/compile.msg:make[1]: *** [lapw2c] Error 1 SRC_lapw2/compile.msg:make: *** [complex] Error 2 SRC_lapwdm/compile.msg:make[1]: *** [lapwdm] Error 1 SRC_lapwdm/compile.msg:make: *** [real] Error 2 SRC_lapwdm/compile.msg:make[1]: *** [lapwdmc] Error 1 SRC_lapwdm/compile.msg:make: *** [complex] Error 2 SRC_lapwso/compile.msg:make: *** [lapwso] Error 1 SRC_mini/compile.msg:make: *** [mini] Error 1 SRC_pairhess/compile.msg:make: *** [pairhess] Error 1 SRC_qtl/compile.msg:make: *** [qtl] Error 1 SRC_spacegroup/compile.msg:make: *** [spacegroup] Error 1 SRC_structeditor/SRC_ncmsymmetry/compile.msg:make: *** [ncmsymmetry] Error 1 SRC_structeditor/SRC_structgen/compile.msg:make: *** [structgen] Error 1 We check accordingly compile.msg files and are giving relevant area for your consideration: CheckCSpline.f(162): (col. 17) remark: LOOP WAS VECTORIZED. CheckCSpline.f(173): (col. 17) remark: LOOP WAS VECTORIZED. CheckCSpline.f(1): (col. 18) remark: checkcspline_ has been targeted for automatic cpu dispatch. ifort -o ./aim moduls.o charge.o gbass.o gener.o aim.o main1.o outin.o radial.o reduc.o rsur.o rotat.o rotate.o rotato.o rotdef1.o sternb.o sum.o vnorm.o ylm.o dtylm.o sumd.o grhosphe.o dradial.o gen_change.o rotat_back.o rotate_back.o gen_brav.o interst.o sphere.o init.o onestep.o rsurf.o gauleg.o critic.o surf.o integrho.o follow.o interp.o cputim.o jacobi.o ludcmp.o spline.o doit.o dtdtylm.o sumdd.o hrhosphe.o matprod.o readcs.o dipole.o rho.o cossin.o intlib.o davint.o d1mach.o sortag.o follown.o SplineFit.o
[Wien] Error during compilation
Do what it asks you to do: Check file compile.msg in the corresponding SRC_* directory for the compilation log and more info on any compilation problem. Look for instance in SRC_lapw1/compile.msg and read the detailed error messages there. Stefaan Disclaimer: http://www.kuleuven.be/cwis/email_disclaimer.htm
[Wien] Error during compilation
Respected Sir, I again compiled the program and got the following errors regarding not found of few .orig files. ?? *** ?? *? Changing compiler options? * ?? *** ??? changing Makefile in SRC_lib/blas_lapw ??? changing Makefile in SRC_lib/lapack_lapw ??? No Makefile.orig in SRC_structeditor/SRC_lib, leaving directory. ??? changing Makefile in SRC_structeditor/SRC_ncmsymmetry ??? changing Makefile in SRC_structeditor/SRC_readwrite ??? changing Makefile in SRC_structeditor/SRC_struct2mol ??? changing Makefile in SRC_structeditor/SRC_structgen ??? changing Makefile in SRC_afminput ??? changing Makefile in SRC_aim ??? changing Makefile in SRC_balsac-utils ??? changing Makefile in SRC_broadening ??? changing Makefile in SRC_cif2struct ??? changing Makefile in SRC_clmaddsub ??? changing Makefile in SRC_clmcopy ??? changing Makefile in SRC_dstart ??? changing Makefile in SRC_elast ??? changing Makefile in SRC_eosfit ??? changing Makefile in SRC_eosfit6 ??? changing Makefile in SRC_filtvec ??? changing Makefile in SRC_fsgen ??? changing Makefile in SRC_initelnes ??? changing Makefile in SRC_initxspec ??? changing Makefile in SRC_irrep ??? changing Makefile in SRC_joint ??? changing Makefile in SRC_kgen ??? changing Makefile in SRC_kram ??? changing Makefile in SRC_lapw0 ??? changing Makefile in SRC_lapw1 ??? changing Makefile in SRC_lapw2 ??? changing Makefile in SRC_lapw3 ??? changing Makefile in SRC_lapw5 ??? changing Makefile in SRC_lapw7 ??? changing Makefile in SRC_lapwdm ??? changing Makefile in SRC_lapwso ??? changing Makefile in SRC_lcore ??? No Makefile.orig in SRC_lib, leaving directory. ??? changing Makefile in SRC_lorentz ??? changing Makefile in SRC_lstart ??? changing Makefile in SRC_mini ??? changing Makefile in SRC_mixer ??? changing Makefile in SRC_nn ??? changing Makefile in SRC_optic ??? changing Makefile in SRC_optimize ??? changing Makefile in SRC_orb ??? changing Makefile in SRC_pairhess ??? changing Makefile in SRC_phonon ??? changing Makefile in SRC_qtl ??? changing Makefile in SRC_reformat ??? changing Makefile in SRC_sgroup ??? changing Makefile in SRC_spacegroup ??? changing Makefile in SRC_spaghetti ??? No Makefile.orig in SRC_structeditor, leaving directory. ??? changing Makefile in SRC_sumpara ??? changing Makefile in SRC_supercell ??? changing Makefile in SRC_symmetry ??? changing Makefile in SRC_symmetso ??? changing Makefile in SRC_telnes2 ??? No Makefile.orig in SRC_templates, leaving directory. ??? changing Makefile in SRC_tetra ??? changing Makefile in SRC_trig ??? changing Makefile in SRC_txspec ??? No Makefile.orig in SRC_usersguide_html, leaving directory. ??? No Makefile.orig in SRC_w2web, leaving directory. Press RETURN to continue ?Please help Thanks and Regards, Subhra Kulshrestha Project Fellow(UGC), Condensed Matter Theory Group School of Studies in Physics, Jiwaji University Gwalior 474011? (M.P.) INDIA --- On Mon, 6/10/08, Peter Blaha pblaha at theochem.tuwien.ac.at wrote: From: Peter Blaha pbl...@theochem.tuwien.ac.at Subject: Re: [Wien] Error during compilation To: A Mailing list for WIEN2k users wien at zeus.theochem.tuwien.ac.at Date: Monday, 6 October, 2008, 9:40 PM Apparently you are trying to compile the mpi-parallel version, but do not have mpi installed. I suggest you start out with the sequential WIEN2k version. rintable Sir, We are using Wien2k 2008 version with fortran compiler 10.1.018 and math kernel library 10.1.0.009 We are having a problem during compilation of Wien2k at the ../sitecofig_lapw as below: Compile time errors (if any) were: SRC_lapw0/compile.msg:make[1]: *** [lapw0_mpi] Error 1 SRC_lapw0/compile.msg:make: *** [para] Error 2 SRC_lapw1/compile.msg:make[1]: *** [lapw1_mpi] Error 1 SRC_lapw1/compile.msg:make: *** [rp] Error 2 SRC_lapw1/compile.msg:make[1]: *** [lapw1c_mpi] Error 1 SRC_lapw1/compile.msg:make: *** [cp] Error 2 SRC_lapw2/compile.msg:make[1]: *** [lapw2_mpi] Error 1 SRC_lapw2/compile.msg:make: *** [rp] Error 2 SRC_lapw2/compile.msg:make[1]: *** [lapw2c_mpi] Error 1 SRC_lapw2/compile.msg:make: *** [cp] Error 2 Kindly help to rectify it. Thanks and Regards, Subhra Kulshrestha Project Fellow(UGC), Condensed Matter Theory Group School of Studies in Physics, Jiwaji University Gwalior 474011? (M.P.) INDIA Unlimited freedom, unlimited storage. Get it now, on http://help.yahoo.com/l/in/yahoo/mail/yahoomail/tools/to P.Blaha -- Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna Phone: +43-1-58801-15671 FAX: +43-1-58801-15698 Email: blaha at theochem.tuwien.ac.atWWW: http://info.tuwien.ac.at/theochem/ -- ___ Wien mailing list Wien at zeus.theochem.tuwien.ac.at http
[Wien] Error during compilation
This is NOT an error message, just a comment. No problem. Respected Sir, I again compiled the program and got the following errors regarding not found of few .orig files. ?? *** ?? *? Changing compiler options? * ?? *** ??? changing Makefile in SRC_lib/blas_lapw ??? changing Makefile in SRC_lib/lapack_lapw ??? No Makefile.orig in SRC_structeditor/SRC_lib, leaving directory. ??? changing Makefile in SRC_structeditor/SRC_ncmsymmetry ??? changing Makefile in SRC_structeditor/SRC_readwrite ??? changing Makefile in SRC_structeditor/SRC_struct2mol ??? changing Makefile in SRC_structeditor/SRC_structgen ??? changing Makefile in SRC_afminput ??? changing Makefile in SRC_aim ??? changing Makefile in SRC_balsac-utils ??? changing Makefile in SRC_broadening ??? changing Makefile in SRC_cif2struct ??? changing Makefile in SRC_clmaddsub ??? changing Makefile in SRC_clmcopy ??? changing Makefile in SRC_dstart ??? changing Makefile in SRC_elast ??? changing Makefile in SRC_eosfit ??? changing Makefile in SRC_eosfit6 ??? changing Makefile in SRC_filtvec ??? changing Makefile in SRC_fsgen ??? changing Makefile in SRC_initelnes ??? changing Makefile in SRC_initxspec ??? changing Makefile in SRC_irrep ??? changing Makefile in SRC_joint ??? changing Makefile in SRC_kgen ??? changing Makefile in SRC_kram ??? changing Makefile in SRC_lapw0 ??? changing Makefile in SRC_lapw1 ??? changing Makefile in SRC_lapw2 ??? changing Makefile in SRC_lapw3 ??? changing Makefile in SRC_lapw5 ??? changing Makefile in SRC_lapw7 ??? changing Makefile in SRC_lapwdm ??? changing Makefile in SRC_lapwso ??? changing Makefile in SRC_lcore ??? No Makefile.orig in SRC_lib, leaving directory. ??? changing Makefile in SRC_lorentz ??? changing Makefile in SRC_lstart ??? changing Makefile in SRC_mini ??? changing Makefile in SRC_mixer ??? changing Makefile in SRC_nn ??? changing Makefile in SRC_optic ??? changing Makefile in SRC_optimize ??? changing Makefile in SRC_orb ??? changing Makefile in SRC_pairhess ??? changing Makefile in SRC_phonon ??? changing Makefile in SRC_qtl ??? changing Makefile in SRC_reformat ??? changing Makefile in SRC_sgroup ??? changing Makefile in SRC_spacegroup ??? changing Makefile in SRC_spaghetti ??? No Makefile.orig in SRC_structeditor, leaving directory. ??? changing Makefile in SRC_sumpara ??? changing Makefile in SRC_supercell ??? changing Makefile in SRC_symmetry ??? changing Makefile in SRC_symmetso ??? changing Makefile in SRC_telnes2 ??? No Makefile.orig in SRC_templates, leaving directory. ??? changing Makefile in SRC_tetra ??? changing Makefile in SRC_trig ??? changing Makefile in SRC_txspec ??? No Makefile.orig in SRC_usersguide_html, leaving directory. ??? No Makefile.orig in SRC_w2web, leaving directory. Press RETURN to continue ?Please help Thanks and Regards, Subhra Kulshrestha Project Fellow(UGC), Condensed Matter Theory Group School of Studies in Physics, Jiwaji University Gwalior 474011? (M.P.) INDIA --- On Mon, 6/10/08, Peter Blaha pblaha at theochem.tuwien.ac.at wrote: From: Peter Blaha pblaha at theochem.tuwien.ac.at Subject: Re: [Wien] Error during compilation To: A Mailing list for WIEN2k users wien at zeus.theochem.tuwien.ac.at Date: Monday, 6 October, 2008, 9:40 PM Apparently you are trying to compile the mpi-parallel version, but do not have mpi installed. I suggest you start out with the sequential WIEN2k version. rintable Sir, We are using Wien2k 2008 version with fortran compiler 10.1.018 and math kernel library 10.1.0.009 We are having a problem during compilation of Wien2k at the ../sitecofig_lapw as below: Compile time errors (if any) were: SRC_lapw0/compile.msg:make[1]: *** [lapw0_mpi] Error 1 SRC_lapw0/compile.msg:make: *** [para] Error 2 SRC_lapw1/compile.msg:make[1]: *** [lapw1_mpi] Error 1 SRC_lapw1/compile.msg:make: *** [rp] Error 2 SRC_lapw1/compile.msg:make[1]: *** [lapw1c_mpi] Error 1 SRC_lapw1/compile.msg:make: *** [cp] Error 2 SRC_lapw2/compile.msg:make[1]: *** [lapw2_mpi] Error 1 SRC_lapw2/compile.msg:make: *** [rp] Error 2 SRC_lapw2/compile.msg:make[1]: *** [lapw2c_mpi] Error 1 SRC_lapw2/compile.msg:make: *** [cp] Error 2 Kindly help to rectify it. Thanks and Regards, Subhra Kulshrestha Project Fellow(UGC), Condensed Matter Theory Group School of Studies in Physics, Jiwaji University Gwalior 474011? (M.P.) INDIA Unlimited freedom, unlimited storage. Get it now, on http://help.yahoo.com/l/in/yahoo/mail/yahoomail/tools/to P.Blaha -- Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna Phone: +43-1-58801-15671 FAX: +43-1-58801-15698 Email: blaha at theochem.tuwien.ac.atWWW: http://info.tuwien.ac.at
[Wien] Error during compilation
Sir, We are using Wien2k 2008 version with fortran compiler 10.1.018 and math kernel library 10.1.0.009 We are having a problem during compilation of Wien2k at the ./sitecofig_lapw as below: Compile time errors (if any) were: SRC_lapw0/compile.msg:make[1]: *** [lapw0_mpi] Error 1 SRC_lapw0/compile.msg:make: *** [para] Error 2 SRC_lapw1/compile.msg:make[1]: *** [lapw1_mpi] Error 1 SRC_lapw1/compile.msg:make: *** [rp] Error 2 SRC_lapw1/compile.msg:make[1]: *** [lapw1c_mpi] Error 1 SRC_lapw1/compile.msg:make: *** [cp] Error 2 SRC_lapw2/compile.msg:make[1]: *** [lapw2_mpi] Error 1 SRC_lapw2/compile.msg:make: *** [rp] Error 2 SRC_lapw2/compile.msg:make[1]: *** [lapw2c_mpi] Error 1 SRC_lapw2/compile.msg:make: *** [cp] Error 2 Kindly help to rectify it. Thanks and Regards, Subhra Kulshrestha Project Fellow(UGC), Condensed Matter Theory Group School of Studies in Physics, Jiwaji University Gwalior 474011? (M.P.) INDIA Unlimited freedom, unlimited storage. Get it now, on http://help.yahoo.com/l/in/yahoo/mail/yahoomail/tools/tools-08.html/ -- next part -- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20081006/0d3d8adb/attachment.html
