Dear Laurence, Thank you for your quick reply and kind explanation. I followed your suggestions. The third suggestion resolve my problems. Thank you! I tested by TiC and it works fine. The problem is there always a message "
Invalid null command.? included. Is there anything I can do? Thank you! regards, Guo On Thu, Jun 24, 2010 at 9:32 PM, Laurence Marks <L-marks at northwestern.edu>wrote: > A slightly longer answer than may be needed, for completeness > > In some cases the location of the ifort/mkl INCLUDE directories are > setup by modules that are part of your environment, but not always. > The location of the include file can be specified one of three ways: > > a) By sourcing > /opt/intel/Compiler/11.1/072/mkl/tools/environment/mklvarsem64t.sh > as you do (or the appropriate version). Note that at least on one > cluster I just checked the 072 release does not include the tools > directory (not sure why). This is better because it sets MKLPATH as > well, which is useful for static compilation. > > b) Manually, by doing (in bash, change for csh) > export INCLUDE=/opt/intel/Compiler/11.1/072/mkl/include:$INCLUDE > > c) By adding a line -I/opt/intel/Compiler/11.1/072/mkl/include in the > FOPT for the relevant Makefile (by hand, or can be done using > siteconfig) > > In both cases a) and b) doing "echo $INCLUDE" will let you know that it > worked. > > What you have done should have worked; did you remember to source > .bashrc after you made the changes, or do a fresh login? > > 2010/6/24 Donghui Guo <donghuig at gmail.com>: > > Dear Wien2kers, > > I am trying to compile newest version of Wien2k_10 on Ubuntu 10.04 > system. I > > met the problem as "W2kinit_tmp_.F(28): error #5102: Cannot open include > > file 'mkl_vml.fi'" during compiling. It happened on lapw1/2/3 programs. > > Here is detail information: > > 1) OS, processor, and compiler: > > Ubuntu 10.04 (AMD64) > > AMD Phenom (tm) II X2 545 > > /opt/intel/Compiler/11.1/072/bin/intel64/ifort > > gcc (Ubuntu 4.4.3-4ubuntu5) 4.4.3 > > 2) compile specification > > system: I Linux (Intel ifort 11.1 compiler + mkl ) > > compiler: for f90 > > /opt/intel/Compiler/11.1/072/bin/intel64/ifort > > for C > > gcc > > 3) compile options > > O Compiler options: -FR -mp1 -w -prec_div -pc80 -pad -ip > > -DINTEL_VML -traceback > > L Linker Flags: $(FOPT) > > -L/opt/intel/Compiler/11.1/072/mkl/lib/em64t -lguide -lpthread > > P Preprocessor flags '-DParallel' > > R R_LIB (LAPACK+BLAS): > > -L/opt/intel/Compiler/11.1/072/mkl/lib/em64t -lmkl_lapack > -lmkl_intel_lp64 > > -lmkl_intel_thread -lmkl_core -openmp -lpthread -lguide > > Meanwhile, I added two lines as following in ~/.bashrc file: > > source /opt/intel/Compiler/11.1/072/bin/ifortvars.sh intel64 > > source > > /opt/intel/Compiler/11.1/072/mkl/tools/environment/mklvarsem64t.sh > > and added two lines as following in /etc/ld.so.conf file > > /usr/lib > > /usr/lib32 > > and loadconfig > > > > After compiled lapw2, I got following message: > > > > SRC_lapw0/compile.msg:W2kinit.F(28): error #5102: Cannot open include > file > > 'mkl_vml.fi' > > SRC_lapw0/compile.msg:make[1]: *** [W2kinit.o] Error 1 > > SRC_lapw0/compile.msg:make: *** [seq] Error 2 > > SRC_lapw1/compile.msg:W2kinit_tmp_.F(28): error #5102: Cannot open > include > > file 'mkl_vml.fi' > > SRC_lapw1/compile.msg:make[1]: *** [W2kinit.o] Error 1 > > SRC_lapw1/compile.msg:make: *** [real] Error 2 > > SRC_lapw1/compile.msg:W2kinit_tmp_.F(28): error #5102: Cannot open > include > > file 'mkl_vml.fi' > > SRC_lapw1/compile.msg:make[1]: *** [W2kinit.o] Error 1 > > SRC_lapw1/compile.msg:make: *** [complex] Error 2 > > SRC_lapw2/compile.msg:W2kinit_tmp_.F(28): error #5102: Cannot open > include > > file 'mkl_vml.fi' > > SRC_lapw2/compile.msg:make[1]: *** [W2kinit.o] Error 1 > > SRC_lapw2/compile.msg:make: *** [real] Error 2 > > SRC_lapw2/compile.msg:W2kinit_tmp_.F(28): error #5102: Cannot open > include > > file 'mkl_vml.fi' > > SRC_lapw2/compile.msg:make[1]: *** [W2kinit.o] Error 1 > > SRC_lapw2/compile.msg:make: *** [complex] Error 2 > > > > I looked into the compile.msg and found the problem should be > > "W2kinit_tmp_.F(28): error #5102: Cannot open include file 'mkl_vml.fi' > > include 'mkl_vml.fi' > > ---------------^ > > compilation aborted for W2kinit_tmp_.F (code 1) > > make[1]: *** [W2kinit.o] Error 1 > > make[1]: Leaving directory `/home/guo/wien2k/SRC_lapw2' > > make: *** [complex] Error 2" > > > > I check the folder and the "mkl_vml.fi" file is surely located in > > "/opt/intel/Compiler/11.1/072/mkl/include". > > > > SO, what can I do to resolve this problem? Any suggestion is welcomed. > > > > Thank you in advance. > > regards, > > Guo > > > > > > > > > > > > > > _______________________________________________ > > Wien mailing list > > Wien at zeus.theochem.tuwien.ac.at > > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > > > > > > > > -- > Laurence Marks > Department of Materials Science and Engineering > MSE Rm 2036 Cook Hall > 2220 N Campus Drive > Northwestern University > Evanston, IL 60208, USA > Tel: (847) 491-3996 Fax: (847) 491-7820 > email: L-marks at northwestern dot edu > Web: www.numis.northwestern.edu > Chair, Commission on Electron Crystallography of IUCR > www.numis.northwestern.edu/ > Electron crystallography is the branch of science that uses electron > scattering and imaging to study the structure of matter. > _______________________________________________ > 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... 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