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openmx 3.7 on intel_64 Date: 2013/05/27 22:08 Name: Denis Music   <music@mch.rwth-aachen.de> Hello everybody, I've tried to compile the new version on intel_64 and it seems that mpif.h file is missing in the source code. The following error occurred: elpa1.f90(59): error #5102: Cannot open include file 'mpif.h' The makefile was as follows: CC = $(MPICC) $(FLAGS_OPENMP) $(FLAGS_FAST) $(FLAGS_MATH_INCLUDE) LIB = $(FLAGS_MATH_LINKER) This makefile was fine with the version 3.6. Does anybody know how to solve the problem? With best regards, Denis

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Re: openmx 3.7 on intel_64 ( No.1 ) Date: 2013/05/27 22:38 Name: surender  <surender_kumar@iitb.ac.in> Hi Denis I guess you are not including the header file 'mpif.h' which is a part of OpenMPI. To find where this file is, run the following command on terminal locate mpif.h In my case the output is /opt/openmpi/gcc/include/mpif.h /opt/openmpi/intel/include/mpif.h /usr/include/openmpi-x86_64/mpif.h Remember the output may differ... now include one of the listed path in CC as CC = -I/opt/openmpi/gcc/include ====> In case of my system Try it.... see if it solves your problam Surender Re: openmx 3.7 on intel_64 ( No.2 ) Date: 2013/05/28 08:24 Name: T. Ozaki Hi, Did you specify FC as well as CC and LIB? Please take a look as for FC at: http://www.openmx-square.org/openmx_man3.7/node6.html http://www.openmx-square.org/openmx_man3.7/node7.html http://www.openmx-square.org/openmx_man3.7/node15.html Regards, TO Re: openmx 3.7 on intel_64 ( No.3 ) Date: 2013/05/28 23:47 Name: Denis Music  <music@mch.rwth-aachen.de> Hello everybody, Thanks a lot for all your support. I’ve tried to fix FC as: FC = $(MPIF90) $(FLAGS_OPENMP) $(FLAGS_FAST) $(FLAGS_MATH_INCLUDE) and the new error message is: icc: error #10236: File not found: 'elpa1.o' icc: error #10236: File not found: 'solve_evp_real.o' icc: error #10236: File not found: 'solve_evp_complex.o' make: *** [openmx] Error 1 Any ideas? Cheers, Denis Re: openmx 3.7 on intel_64 ( No.4 ) Date: 2013/05/29 11:08 Name: T.V.T. Duy  <duytvt@jaist.ac.jp> Hi, This error occurs during linking and indicates that the Fortran source files are not compiled successfully, probably because some variables used in specifying FC are not correctly set. Could you please show the setting (value) of MPIF90 and check if it points to a working Fortran compiler? If MPIF90 is correct, then you can try again by simplifying FC as follows. FC = $(MPIF90) If this does not work, please show the setting of MPICC so that I can suggest some workaround. Best regards, T.V.T. Duy Re: openmx 3.7 on intel_64 ( No.5 ) Date: 2013/05/31 14:29 Name: Denis Music  <music@mch.rwth-aachen.de> Hello everybody, Thanks a lot for your effort. The problem was solved by setting FC to MPIFC. With best regards, Denis

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