Dear sirs;
I am trying to run the REM amber code on a dec_alpha cluster (PSC). I
first compiled the serial version and tested it (everything worked fine).
Then I proceeded to compile the parallel version as follows:
make clean
../configure -mpich compaqf90
make AMBERBUILDFLAGS='-DREM' parallel
and it all seemd to compile fine. There were no errors and got at the
end:
Installation of Amber8 (parallel) is complete at Fri Jan 21 19:19:01 EST
2005.
But when I try to run the following command:
prun -N ${RMS_NODES} -n ${RMS_PROCS} -vvv ${HOME}/amber8/exe/sander -O -ng
4 -rem 1 -remlog ./rem.log -i ./rem.in -p ./dba8.top -c ./md.r -o ./out -r
../rem.rst
I get the following error message:
mdfil: Error unknown flag: -rem
$
usage: sander [-O] -i mdin -o mdout -p prmtop -c inpcrd -r restrt
[-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip
rstdip -mdip mddip -inf mdinfo -ra$
Consult the manual for additional options.
prun: /usr/users/1/swong/amber8/exe/sander (host iam576 process 0 pid
852746) killed by signal 6
prun: generating backtrace for /usr/users/1/swong/amber8/exe/sander
/local/core/rms/1123919/core.sander.iam57
any ideas???
Thanks
-Sergio
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Received on Sat Jan 22 2005 - 00:53:00 PST
