AMBER Archive (2005)

Subject: Re: AMBER: MPI for sander8

From: Thomas E. Cheatham, III (cheatham_at_chpc.utah.edu)
Date: Tue Feb 22 2005 - 11:22:18 CST

> 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.

Depends on the compiler,

pgf77 -Msecond_underscore

With g77 or pathf90, make sure -fno-second-underscore is not defined...

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