AMBER Archive (2005)

Subject: AMBER: problem runing parallel (REM) on tru64

From: Sergio E. Wong (swon9_at_itsa.ucsf.edu)
Date: Fri Jan 21 2005 - 18:22:26 CST

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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