Dear Amber List members,
I have a work station and server with ubuntu linux.
There are amber14 and ambertools15 installed on both computers
according to the manual directions. All tests on sander. pmemd.mpi, and
pmemd.cuda were successful.
I have been running without problems different amber tutorials
as well as some of my tasks.
Suddenly couple of days ago I faced a strange error message on both of my
computers
responding on a command that was used previously without any problem (see
below).
Analogous respond was on sander, pmemd, and pmemd.mpi commands.
I would appreciate any advise how to solve the problem.
Thank you,
Michael
shokhen.shokhen-lnx:~/Documents/amd_amber/1_$ pmemd.cuda –O –i min1.in –o
min1.out –p ../*.prmtop –c ../*.inpcrd –r sp1_min1.rst –ref ../*.inpcrd &
[1] 4324
shokhen.shokhen-lnx:~/Documents/amd_amber/1_$
unknown flag:
–O
usage: pmemd [-O] -i mdin -o mdout -p prmtop -c inpcrd -r restrt
[-ref refc -x mdcrd -v mdvel -frc mdfrc -e mden -inf mdinfo
-l logfile]
[-amd amdlog_name -scaledMD scaledMDlog_name -suffix
output_files_suffix]
STOP PMEMD Terminated Abnormally!
*****************************
Michael Shokhen, PhD
Associate Professor
Department of Chemistry
Bar Ilan University,
Ramat Gan, 52900
Israel
email: michael.shokhen.gmail.com
email: shokhen.mail.biu.ac.il
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Received on Sat Jun 06 2015 - 01:30:02 PDT
