AMBER Archive (2004)

Subject: AMBER: PMEMD Problems...

From: Jon Gray (jmgray_at_andrew.cmu.edu)
Date: Mon Apr 05 2004 - 15:38:23 CDT

Hello everyone,

I have been trying to install PMEMD to be used with our existing amber7
installation for a couple weeks now. At first I was having issues with
version 8 of the intel fortran compiler, but after switching to an older
version of 7 it seemed to compile smoothly.

Although it is compiled now, whenever I execute the pmemd binary file I
just get:

FORTRAN STOP PMEMD Terminated Abnormally!

There is no output of an error file whatsoever. This happens when I just
execute the command by itself (although then I get an mdout error along
with the Terminated Abnormally message) or when
I try running something that runs fine under sander. Here is line I am
attempting to execute:

pmemd -O -i sander_V_PMEMD.inp -o a_m.out -p a_m.top \
 -C a_m.V169ps.rst -r a_m.rst -ref a_m.V169ps.rst -x a_m.trj

Forgive me if I misused some terminology, or this is an obvious problem, I
am not actually in this field but rather just a tech person who has been
assigned this problem :)

Thank you in advance.

-Jonathan Gray (Carnegie Mellon University Chemistry Dept)
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