[gmx-developers] new 64-bit int support and MPI

Mark Abraham mark.j.abraham at gmail.com
Tue Dec 24 13:34:21 CET 2013


I'm happy with the recent change to requiring 64-bit integers, but I note
that this means we have required that the MPI library support the
MPI_INT64_T datatype from MPI 2.2. AFAIK that's probably OK in practice,
but I thought it worth mentioning / discussing.

We should update the install guide and add a CMake test for its support,
however, since there will still be plenty of people with earlier
non-compliant MPI libraries. I imagine CentOS will take about 5 years to
update that far...


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