AMBER Archive (2004)

Subject: AMBER: pmemd and mpich - myrinet

From: Lubos Vrbka (
Date: Fri Apr 23 2004 - 10:59:31 CDT

hi guys,

i have got 2 questions regarding pmemd-3.1 and myrinet.

1) why is there no machinefile for xeons with myrinet?

2) i'm just building the pmemd with myrinet communication and experience
problems with it - compiler cannot find myrinet related libraries. these
are in different place than mpich-gm libraries.
  i asked at our computer facility and they said that i should use
mpicc/mpif77 compilers that are used within gm package (as they set up
the library path correctly), but i was not able to find, how to force
pmemd installation to use them, or even check which compilers are used
for parallel pmemd build (i use ifc as the compiler for the pmemd).
when i modified the LOADLIB variable with the correct paths it worked fine.
so is it possible to find out which mpi compiler is used for the build?
is it possible to change it?

thanks for your time. regards,

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