ld: cannot find -lmkl_scalapack_lp64 means that the linker cannot find a library, please check your setup of the frortran compiler and mkl and check your envronment variables: LD_LIBRARY_PATH with siteconfig_lapw check the settings for: LDFLAGS, R_LIBS, and RP_LIBS
the path should be everywhere the same and the library shoould be locatetd in the given directory. check that everything is typed correctly, maybe you just have a typo in some file. Ciao Gerhard DEEP THOUGHT in D. Adams; Hitchhikers Guide to the Galaxy: "I think the problem, to be quite honest with you, is that you have never actually known what the question is." ==================================== Dr. Gerhard H. Fecher Institut of Inorganic and Analytical Chemistry Johannes Gutenberg - University 55099 Mainz and Max Planck Institute for Chemical Physics of Solids 01187 Dresden ________________________________________ Von: wien-boun...@zeus.theochem.tuwien.ac.at [wien-boun...@zeus.theochem.tuwien.ac.at] im Auftrag von Temuujin Bayaraa [foxtemuu...@gmail.com] Gesendet: Donnerstag, 1. Oktober 2015 06:11 An: A Mailing list for WIEN2k users Betreff: Re: [Wien] Compilation error Thank you Mr. Gavin Abo and sorry for this late reply. I have compiled mpif90 with ifort and got following error: Compile time errors (if any) were: SRC_dstart/compile.msg:make[1]: *** [dstart_mpi] Error 1 SRC_dstart/compile.msg:make: *** [para] Error 2 SRC_hf/compile.msg:make[1]: *** [hf_mpi] Error 1 SRC_hf/compile.msg:make: *** [rp] Error 2 SRC_hf/compile.msg:make[1]: *** [hfc_mpi] Error 1 SRC_hf/compile.msg:make: *** [cp] Error 2 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 SRC_lapwso/compile.msg:make[1]: *** [lapwso_mpi] Error 1 SRC_lapwso/compile.msg:make: *** [para] Error 2 SRC_nmr/compile.msg:make[1]: *** [nmr_mpi] Error 1 SRC_nmr/compile.msg:make: *** [rp] Error 2 SRC_nmr/compile.msg:make[1]: *** [nmrc_mpi] Error 1 SRC_nmr/compile.msg:make: *** [cp] Error 2 in dstart compile,msg: ld: cannot find -lmkl_scalapack_lp64 i have attached the compile.msg. Please help me on this. I have looked around Mailing list and it seems i can not find right solution for this. On Thu, May 21, 2015 at 2:56 PM, Gavin Abo <gs...@crimson.ua.edu<mailto:gs...@crimson.ua.edu>> wrote: It looks like you have two problems. 1) make[1]: ifort: Command not found It looks like cannot find your installed ifort. Did you source compilervars.sh in .bashrc? 2) mpif90 -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback -assume buffered_io -DFFTW3 -I/home/temuujin/local/include -DParallel -c module.F gfortran: buffered_io: No such file or directory gfortran: unrecognized option '-prec_div' It looks like your mpif90 is probably compiled with gfortran. Did you compile mpif90 with ifort? On Thu, May 21, 2015 at 12:27 AM, Temuujin Bayaraa <foxtemuu...@gmail.com<mailto:foxtemuu...@gmail.com>> wrote: Thank you for the reply sir, My supervisor is away on business and i do not have username and passport to download latest version. I have attached my compile message of dstart. I have fully running Wien2k on normal i7 Ubuntu witch gfortran and gcc compilers but i ran into this problem when i wanted to do some calculations on Cluster (Rocks 6.1) with intel compilers. Can you please look into my compile message? On Mon, May 18, 2015 at 11:17 PM, Gavin Abo <gs...@crimson.ua.edu<mailto:gs...@crimson.ua.edu>> wrote: First, install the latest WIEN2k version (14.2) unless you want to experience the frustration of the WIEN2k 13.1 bugs listed at http://www.wien2k.at/reg_user/updates/ Second, regarding the errors like f951: error: unrecognized command line option "-ip", if you do a google search, it looks like f951 might be a gfortran error. So you might have specified a gfortran compiler instead of an ifort compiler for the fortran compiler during siteconfig. As it says, check the compile.msg file in SRC_dstart, because the information in the compile.msg file might make it more clear as to what exactly went wrong. On 5/18/2015 1:04 AM, Temuujin Bayaraa wrote: Dear Wien2k users, I am installing Wien2k 13.1 on Red Hat (Cluster). I have Intel Composer Xe 2013 SP1 installed. I chose following in the compilation: System : I ; linuxfc Compiler: ifort, icc Compiler options: -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback -assume buffered_io FFTW options: -DFFTW3 -I/home/temuujin/local/include Linker Flags: $(FOPT) -L$(MKLROOT)/lib/$(MKL_TARGET_ARCH) -pthread Preprocessor flags '-DParallel' R_LIB (LAPACK+BLAS): -lmkl_lapack95_lp64 -lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core -openmp -lpthread FFTW_LIBS: -lfftw3_mpi -lfftw3 -L/home/temuujin/local/lib And after compilation, i get following error: SRC_dstart/compile.msg:make[1]: *** [module.o] Error 127 SRC_dstart/compile.msg:make: *** [seq] Error 2 SRC_dstart/compile.msg:f951: error: unrecognized command line option "-ip" SRC_dstart/compile.msg:f951: error: unrecognized command line option "-mp1" SRC_dstart/compile.msg:f951: error: unrecognized command line option "-assume" SRC_dstart/compile.msg:make[1]: *** [module.o] Error 1 SRC_dstart/compile.msg:make: *** [para] Error 2 SRC_hf/compile.msg:f951: error: unrecognized command line option "-ip" SRC_hf/compile.msg:f951: error: unrecognized command line option "-mp1" SRC_hf/compile.msg:f951: error: unrecognized command line option "-assume" SRC_hf/compile.msg:make[1]: *** [modules.o] Error 1 SRC_hf/compile.msg:make: *** [rp] Error 2 SRC_hf/compile.msg:f951: error: unrecognized command line option "-ip" SRC_hf/compile.msg:f951: error: unrecognized command line option "-mp1" SRC_hf/compile.msg:f951: error: unrecognized command line option "-assume" SRC_hf/compile.msg:make[1]: *** [modules.o] Error 1 SRC_hf/compile.msg:make: *** [cp] Error 2 SRC_lapw0/compile.msg:f951: error: unrecognized command line option "-ip" SRC_lapw0/compile.msg:f951: error: unrecognized command line option "-mp1" SRC_lapw0/compile.msg:f951: error: unrecognized command line option "-assume" SRC_lapw0/compile.msg:make[1]: *** [modules.o] Error 1 SRC_lapw0/compile.msg:make: *** [para] Error 2 SRC_lapw1/compile.msg:f951: error: unrecognized command line option "-ip" SRC_lapw1/compile.msg:f951: error: unrecognized command line option "-mp1" SRC_lapw1/compile.msg:f951: error: unrecognized command line option "-assume" SRC_lapw1/compile.msg:make[1]: *** [modules.o] Error 1 SRC_lapw1/compile.msg:make: *** [rp] Error 2 SRC_lapw1/compile.msg:f951: error: unrecognized command line option "-ip" SRC_lapw1/compile.msg:f951: error: unrecognized command line option "-mp1" SRC_lapw1/compile.msg:f951: error: unrecognized command line option "-assume" SRC_lapw1/compile.msg:make[1]: *** [modules.o] Error 1 SRC_lapw1/compile.msg:make: *** [cp] Error 2 SRC_lapw2/compile.msg:f951: error: unrecognized command line option "-ip" SRC_lapw2/compile.msg:f951: error: unrecognized command line option "-mp1" SRC_lapw2/compile.msg:f951: error: unrecognized command line option "-assume" SRC_lapw2/compile.msg:make[1]: *** [modules.o] Error 1 SRC_lapw2/compile.msg:make: *** [rp] Error 2 SRC_lapw2/compile.msg:f951: error: unrecognized command line option "-ip" SRC_lapw2/compile.msg:f951: error: unrecognized command line option "-mp1" SRC_lapw2/compile.msg:f951: error: unrecognized command line option "-assume" SRC_lapw2/compile.msg:make[1]: *** [modules.o] Error 1 SRC_lapw2/compile.msg:make: *** [cp] Error 2 Would really appreciate help on this one. _______________________________________________ Wien mailing list Wien@zeus.theochem.tuwien.ac.at<mailto: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 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