Hi, I am installing GROMACS with the mpi option. There is some problem with the flags of pgcc. The version of pgcc is
pgcc 7.0-5 64-bit target on x86-64 Linux. and that of gromacs gromacs-4.5-beta2. I can remove the flags by hand but I dont know if this procedure will modify the performance of GROMACS. thanks in advance for your help. Here it is the error message: /bin/sh ../../../../libtool --tag=CC --mode=compile mpicc -DHAVE_CONFIG_H -I. -I../../../../src -I/usr/include/libxml2 -I../../../../include -DGMXLIBDIR=\"/home/fb18/pojeda/bin/share/top\" -I/home/fb18/pojeda/bin/include -MT nb_kernel400_x86_64_sse.lo -MD -MP -MF .deps/nb_kernel400_x86_64_sse.Tpo -c -o nb_kernel400_x86_64_sse.lo nb_kernel400_x86_64_sse.c mpicc -DHAVE_CONFIG_H -I. -I../../../../src -I/usr/include/libxml2 -I../../../../include -DGMXLIBDIR=\"/home/fb18/pojeda/bin/share/top\" -I/home/fb18/pojeda/bin/include -MT nb_kernel400_x86_64_sse.lo -MD -MP -MF .deps/nb_kernel400_x86_64_sse.Tpo -c nb_kernel400_x86_64_sse.c -o nb_kernel400_x86_64_sse.o pgcc-Error-Unknown switch: -MT pgcc-Error-Unknown switch: -MP pgcc-Error-Unknown switch: -MF make[3]: *** [nb_kernel400_x86_64_sse.lo] Error 1 make[3]: Leaving directory `/gpfs/home02/fb18/pojeda/gromacs-4.5-beta2/src/gmxlib/nonbonded/nb_kernel_x86_64_sse' make[2]: *** [all-recursive] Error 1 make[2]: Leaving directory `/gpfs/home02/fb18/pojeda/gromacs-4.5-beta2/src/gmxlib/nonbonded' make[1]: *** [all-recursive] Error 1 make[1]: Leaving directory `/gpfs/home02/fb18/pojeda/gromacs-4.5-beta2/src/gmxlib' (cd ./src/mdlib && make ; exit 0) make[1]: Entering directory `/gpfs/home02/fb18/pojeda/gromacs-4.5-beta2/src/mdlib' /bin/sh ../../libtool --tag=CC --mode=compile mpicc -DHAVE_CONFIG_H -I. -I../../src -I/usr/include/libxml2 -I../../include -DGMXLIBDIR=\"/home/fb18/pojeda/bin/share/top\" -I/home/fb18/pojeda/bin/include -MT calcmu.lo -MD -MP -MF .deps/calcmu.Tpo -c -o calcmu.lo calcmu.c mpicc -DHAVE_CONFIG_H -I. -I../../src -I/usr/include/libxml2 -I../../include -DGMXLIBDIR=\"/home/fb18/pojeda/bin/share/top\" -I/home/fb18/pojeda/bin/include -MT calcmu.lo -MD -MP -MF .deps/calcmu.Tpo -c calcmu.c -o calcmu.o pgcc-Error-Unknown switch: -MT pgcc-Error-Unknown switch: -MP pgcc-Error-Unknown switch: -MF make[1]: *** [calcmu.lo] Error 1 -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [email protected]. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
