AMBER Archive (2005)

Subject: AMBER: MPI for sander8

From: S. Frank Yan (SYan_at_gnf.org)
Date: Tue Feb 22 2005 - 11:04:56 CST

Hi,

I'm trying to compile the parallel version of sander8 on a Linux
cluster. The MPI library on the node seems to have second trailing
underscore:

nm /usr/local/mpi/lib/libmpich.a | grep mpi_init
00000000 W mpi_init__
00000000 T pmpi_init__
00000000 W mpi_initialized__
00000000 T pmpi_initialized__

However the package compiled with either ifort or ifc (the Intel Fortran
compilers version 8 or 7) only has one trailing underscore, which
results in linking error. I was wondering if there's any way to
reconcile this discrepancy without recompiling the MPI.

Thanks a lot.

Frank

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