Dear Gmx Users, I am facing problem while installing gromacs 4.0.7 on the rocks cluster
1. command: ./configure --enable-float --enable-threads --enable-sse --enable-mpi we got the following error: checking for cc... cc checking for C compiler default output file name... a.out checking whether the C compiler works... yes checking whether we are cross compiling... no checking for suffix of executables... checking for suffix of object files... o checking whether we are using the GNU C compiler... yes checking whether cc accepts -g... yes checking for cc option to accept ISO C89... none needed checking for style of include used by make... GNU checking dependency style of cc... gcc3 checking dependency style of cc... gcc3 checking for mpxlc... no checking for mpicc... no checking for mpcc... no checking for hcc... no checking whether the MPI cc command works... configure: error: Cannot compile and link MPI code with cc 2. command ./configure --enable-float --enable-threads --enable-sse --enable-mpi --program-suffix=_mpi MPICC="/usr/mpi/gcc/mvapich-1.2.0/bin/mpicxx" we got the following error: checking whether we are using the GNU C compiler... yes checking whether cc accepts -g... yes checking for cc option to accept ISO C89... none needed checking for style of include used by make... GNU checking dependency style of cc... gcc3 checking dependency style of cc... gcc3 checking for mpxlc... /usr/mpi/gcc/mvapich-1.2.0/bin/mpicxx checking whether the MPI cc command works... yes checking for catamount... no checking for pthreads... yes checking how to run the C preprocessor... /usr/mpi/gcc/mvapich-1.2.0/bin/mpicxx -E checking whether /usr/mpi/gcc/mvapich-1.2.0/bin/mpicxx accepts -O3... yes checking whether /usr/mpi/gcc/mvapich-1.2.0/bin/mpicxx accepts -funroll-all-loops... yes checking whether /usr/mpi/gcc/mvapich-1.2.0/bin/mpicxx accepts -O3 -fomit-frame-pointer -finline-functions -Wall -Wno-unused -funroll-all-loops... yes checking for grep that handles long lines and -e... /bin/grep checking for egrep... /bin/grep -E checking for ANSI C header files... no checking for sys/types.h... yes checking for sys/stat.h... yes checking for stdlib.h... yes checking for string.h... yes checking for memory.h... yes checking for strings.h... yes checking for inttypes.h... yes checking for stdint.h... yes checking for unistd.h... yes checking whether byte ordering is bigendian... no checking for int... yes checking size of int... configure: error: cannot compute sizeof (int) See `config.log' for more details. though the installation completes without the --enable mpi the gcc compiler version used is 4.1.2. i will be grateful if someone can help us out on how to resolve this issue. thanking you, Parul Tewatia
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