AMBER Archive (2007)

Subject: AMBER: Error in running Replica Exchange MD with amber9

From: Seongeun Yang (seongeun_at_korea.ac.kr)
Date: Fri Feb 23 2007 - 08:15:48 CST

Hello all,

After I failed to run REMD using 32 replicas with amber8 as posted a few days ago,
I tried the same REMD job with amber9.

The parallel version of amber9 was installed without error on Intel Xeon cluster,
and the MPI version of sander with no replica exchange did the job without problem.

But a number of attempts to run the REMD job gave the error messages such as below.

.....
0 - MPI_COMM_RANK : Null communicator
[0] Aborting program !
[0] Aborting program!
1 - MPI_COMM_RANK : Null communicator
[1] Aborting program !
[1] Aborting program!
p1_16499: p4_error: : 197
p3_16533: p4_error: : 197
3 - MPI_COMM_RANK : Null communicator
[3] Aborting program !
[3] Aborting program!
p21_1181: p4_error: : 197
19 - MPI_COMM_RANK : Null communicator
[19] Aborting program !
[19] Aborting program!
p19_3303: p4_error: : 197
p0_16494: p4_error: : 197
rm_l_1_16512: (1.417969) net_send: could not write to fd=5, errno = 32
rm_l_3_16547: (1.359375) net_send: could not write to fd=5, errno = 32
.....
.....

Please let me know how to fix this problem.

Thanks a lot.

Seongeun
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu