Fatal Error: Cannot Read Module File 'mpi.mod' Opened at (1)

OP Forum Member Joined: Nov 2015 Posts: 17	I've got a version of charmm (c41a1) which I compiled with an old version of gcc and openmpi. I've cp'd this over to a new machine and desire to utilise a newer compiler gear up (gcc-iv.eight.iv and openmpi one.6.iv - I've checked they're compatible). After running ./install.com gnu M Eastward DEBUG I'm getting an error which says that: Fatal Error: Cannot read module file 'mpi.mod' opened at (1), considering it was created by a different version of GNU Fortran So clearly mpi.mod is still compiled with the old version of gcc. I've tried removing makemod.pl and prefx_gnu from tool/ only that doesn't aid. I always remove the build/gnu_M and lib/gnu_M directories before recompiling. I tin can't even find mpi.mod anywhere. Tin can anyone assistance me recompile this? Thanks in advance. Rob

Joined: Sep 2003 Posts: eight,591 Likes: 12 Forum Fellow member
Forum Member Joined: Sep 2003 Posts: viii,591 Likes: 12	The mpi.modern file is created when the MPI library is built with Fortran90 support. Pre-compiled MPI binaries from a Linux distribution frequently are built with no Fortran90 back up, and so the file is missing. Besides for the GCC suite, the MPI library must be built with the aforementioned Fortran compiler version that will be used to compile CHARMM. Rick Venable computational chemist

Joined: Nov 2015 Posts: 17 Forum Member
OP Forum Member Joined: Nov 2015 Posts: 17	Thanks very much, you stopped me searching for the make file that makes mpi.mod. I tried matching up the mpi version with the gcc version - didn't work. I tried compiling my own version of openmpi - didn't work. In the end, using the configure script (instead of install.com) worked. I tried the configure road on my mac (didn't work) merely doing it on our cluster worked. Thanks for your help.

Joined: Sep 2003 Posts: 8,591 Likes: 12 Forum Member
Forum Member Joined: Sep 2003 Posts: 8,591 Likes: 12	It should exist noted that the developmental emphasis has been on the configure & CMake build procedure, while the distributed beta versions have merely install.com available at this time. Information technology is possible that install.com may be under-tested; I had a contempo install.com problem with em64t builds using the Intel xvi compiler suite. Rick Venable computational chemist

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