AMBER Archive (2007)

Subject: AMBER: Error in running replica exchange MD

From: Seongeun Yang (seongeun_at_korea.ac.kr)
Date: Tue Feb 20 2007 - 05:45:38 CST

Hello all,

I met a problem in running REMD.

I'm using amber8 installed on Intel Xeon clusters (dual core).

After I found that test REMD runs using 16 replicas on 4 nodes were successful for at least 1000 exchanges,
I tried to run the same job using 32 replicas on 8 nodes.

After just 4 exchanges, the job stopped giving the following error messages.

These are a few lines at the beginning of the error messages.

.....
*** glibc detected *** double free or corruption (!prev): 0x00000000016f2600 ***
p23_4663: p4_error: interrupt SIGx: 6
rm_l_23_4676: (405.574219) net_send: could not write to fd=5, errno = 32
p1_6052: p4_error: net_recv read: probable EOF on socket: 1
p2_6069: p4_error: net_recv read: probable EOF on socket: 1
rm_l_1_6065: (407.609375) net_send: could not write to fd=5, errno = 32
p3_6086: p4_error: net_recv read: probable EOF on socket: 1
rm_l_2_6082: (407.582031) net_send: could not write to fd=5, errno = 32
p28_3283: p4_error: net_recv read: probable EOF on socket: 1
rm_l_28_3297: (404.835938) net_send: could not write to fd=5, errno = 32
.....

Please let me know what is the source of the error in this case.

Thanks for your answers in advance.

Seongeun
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