[AMBER] Error with MMPBSA

From: Kehinde Idowu <kidowu93.yahoo.com>
Date: Tue, 7 Dec 2021 02:06:28 +0000 (UTC)

Hi guys, Please, I need your assistance. I was trying to calculate binding energy between two receptors using MMPBSA script on Amber 14, however, I keep getting this error message bellow in my mmpbsa.log file. Kindly advise on this.Thanks.
-------------------------------------------------------Primary job  terminated normally, but 1 process returneda non-zero exit code.. Per user-direction, the job has been aborted.-------------------------------------------------------------------------------------------------------------------A process or daemon was unable to complete a TCP connectionto another process:  Local host:    cnode0451  Remote host:   cnode0451This is usually caused by a firewall on the remote host. Pleasecheck that any firewall (e.g., iptables) has been disabled andtry again.--------------------------------------------------------------------------------------------------------------------------------------mpirun detected that one or more processes exited with non-zero status, thus causingthe job to be terminated. The first process to do so was:
  Process name: [[11143,1],15]  Exit code:    2--------------------------------------------------------------------------~

_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Dec 06 2021 - 18:30:02 PST
Custom Search