AMBER Archive (2005)

Subject: Re: AMBER: MPI for sander8

From: Viktor Hornak (hornak_at_csb.sunysb.edu)
Date: Tue Feb 22 2005 - 11:13:46 CST

As far as I recall it was rather difficult to force ifort to change its
underscoring, therefore recompiling MPI with ifort is a much easier
route. If you cannot modify MPI provided for you on your system (e.g.
due to lack of administrative priviledges), you can download and compile
MPI yourself and link your version with amber8.

Good luck,
-Viktor

S. Frank Yan wrote:

>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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