From: jose correa (corrjose_at_gmail.com)
Date: Thu Nov 05 2009 - 17:29:30 CST
Dear all
I have the next problem during the MD running:
TIMING: 13348500 CPU: 46671.5, 0.0155676/step Wall: 511038, 0.184927/step,
649.171 hours remaining, 39148 kB of memory in use.
ENERGY: 13348500 718.4359 1982.7139 1100.6269
106.3113 -141383.5070 12416.7597 0.0000
0.0000 26033.5018 -99025.1576 309.1271 -98946.2472
-98951.1179 309.3756 -93.6588 -73.8276
919341.5556 -9.9248 -9.7597
WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 13348500
Stack Traceback:
[0] /lib64/libc.so.6 [0x3d17c30f30]
[1] __poll+0x2f [0x3d17ccbd2f]
[2] /usr/local/NAMD_2.6_Linux-amd64-TCP/namd2 [0x7eced5]
[3] /usr/local/NAMD_2.6_Linux-amd64-TCP/namd2 [0x7f4b92]
[4] CcdRaiseCondition+0x59 [0x7f49d1]
[5] CsdScheduleForever+0x10b [0x7f24fb]
[6] CsdScheduler+0x1c [0x7f2090]
[7] _Z10slave_initiPPc+0x10 [0x4bac24]
[8] _ZN7BackEnd4initEiPPc+0x28f [0x4bac09]
[9] main+0x47 [0x4b656f]
[10] __libc_start_main+0xf4 [0x3d17c1e074]
[11] _ZNSt8ios_base4InitD1Ev+0x3a [0x4b28da]
Type :quit<Enter> to exit Vim
However, when I try to run the next MD starting from these restar files it
work, but by join the *dcd files, it yield a mistake.
Any suggestion?
Best wishes
José
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