From: Cesar Luis Avila (cavila_at_fbqf.unt.edu.ar)
Date: Mon Jul 03 2006 - 15:20:38 CDT
Dear all,
While running minimization for my system on AMD64 Dual Core, I always
get stuck after step 199. The following is extracted from log:
---------------------
BRACKET: 1.20523e-06 0.239614 -230750 14968.7 528140
ENERGY: 199 6081.6400 2704.6967 0.0000
488.2582 -183481.0235 -8652.9114 0.0000
0.0000 0.0000 -182859.3400 0.0000
-182859.3400 -182859.3400 0.0000 -6250.9615
-5563.7037 864000.0000 -6250.9615 -5563.7037
LDB: LOAD: AVG 76.2111 MAX 85.6205 MSGS: TOTAL 84 MAXC 21 MAXP 3 None
LDB: LOAD: AVG 76.2111 MAX 86.8742 MSGS: TOTAL 84 MAXC 21 MAXP 3 Alg7
-----------------------
I wonder if it has something to do with the bug reported on the wiki by
Jim Philips.
Load balancer hangs on dual-core Opteron clusters, including Cray XD1
If so, do I have to build charmm, namd or both from sources?
I am currently using Linux-amd64-TCP
<http://www.ks.uiuc.edu/Development/Download/download.cgi?UserID=&AccessCode=&ArchiveID=792>
binaries for version 2.6b1downloaded from NAMD website.
I did not have the same problem while running the benchmark APOA1.
Regards
Cesar
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