AMBER Archive (2009)

Subject: [AMBER] sander.mpi. mdfil: Error unknown flag: sander

From: Andrew Voronkov (drugdesign_at_yandex.ru)
Date: Mon Nov 09 2009 - 06:24:17 CST

Dear Amber users, I have errors on MPI version of Amber 10 installed on cluster.
What can be the problem?

Sincerely yours,
Andrey

  mdfil: Error unknown flag: sander

     usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt
                   [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog rem.log -remtype rem.type -rem [0|1|2] -rremd [0|1|2|3] -saveene saveene -clusterinfo cluster.info -reservoir reserv/frame -hybridtraj hybrid.strip.crd-ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj]
Consult the manual for additional options.
Exit code -3 signaled from node-04-04
Killing remote processes...[0] [MPI Abort by user] Aborting Program!
Abort signaled by rank 0: MPI Abort by user Aborting program !
forrtl: error (69): process interrupted (SIGINT)
Image PC Routine Line Source
sander.MPI 00000000008E0742 Unknown Unknown Unknown
sander.MPI 00000000008E8982 Unknown Unknown Unknown
sander.MPI 00000000008BB10B Unknown Unknown Unknown
sander.MPI 00000000008BBAA0 Unknown Unknown Unknown
sander.MPI 00000000008CDEDE Unknown Unknown Unknown
sander.MPI 00000000008C5A0F Unknown Unknown Unknown
sander.MPI 00000000008B9340 Unknown Unknown Unknown
sander.MPI 00000000004BD843 Unknown Unknown Unknown
sander.MPI 000000000041F65C Unknown Unknown Unknown
libc.so.6 00007FAFAF3EACF4 Unknown Unknown Unknown
sander.MPI 000000000041F569 Unknown Unknown Unknown
forrtl: error (69): process interrupted (SIGINT)
Image PC Routine Line Source
sander.MPI 00000000008E0742 Unknown Unknown Unknown
sander.MPI 00000000008E8982 Unknown Unknown Unknown
sander.MPI 00000000008EE10F Unknown Unknown Unknown
sander.MPI 00000000008BB7CD Unknown Unknown Unknown
sander.MPI 00000000008CFE5B Unknown Unknown Unknown
sander.MPI 00000000008CEF65 Unknown Unknown Unknown
sander.MPI 00000000008C5B64 Unknown Unknown Unknown
sander.MPI 00000000008B935B Unknown Unknown Unknown
sander.MPI 00000000004BD8F8 Unknown Unknown Unknown
sander.MPI 000000000041F65C Unknown Unknown Unknown
libc.so.6 00007FCCC0FA2CF4 Unknown Unknown Unknown
sander.MPI 000000000041F569 Unknown Unknown Unknown

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