From: surendra negi (negi009_at_yahoo.com)
Date: Fri May 06 2005 - 10:22:55 CDT
Hi all,
After running NAMD for few hours, I am getting
following error. Any help pls.
Regards
Surendra
------------------------------------
WRITING COORDINATES TO DCD FILE AT STEP 50750
PRESSURE: 50800 -433.613 30.8916 -14.6102 30.8916
-162.139 40.8177 -14.6102 40.8177 -61.2134
GPRESSURE: 50800 -342.859 -2.25466 112.327 152.496
-208.017 7.25088 -13.2999 100.724 -80.6488
PRESSAVG: 50800 -77.6668 -17.2412 1.28891 -17.2412
43.8393 -34.5424 1.28891 -34.5424 9.7209
GPRESSAVG: 50800 -78.5093 -15.0054 -1.00073 -18.2241
46.6899 -29.8654 3.03711 -40.5077 8.11931
ENERGY: 50800 1634.8019 4319.3415
2525.0602 274.6942 -84356.2590
3910.3016 0.0000 0.0000 17397.2644
-54294.
7953 309.3261 -54202.2671 -54195.6048
309.7425 -218.9886 -210.5084
470210.6279 -8.0355 -7.9000
PRESSURE: 50900 -162.848 -72.0714 -13.7605 -72.0714
65.0904 -285.189 -13.7605 -285.189 -43.4838
GPRESSURE: 50900 -125.657 13.4894 -12.7908 -155.341
21.3423 -268.01 -42.4167 -215.963 -13.6125
PRESSAVG: 50900 -11.7485 -38.8098 -13.945 -38.8098
-33.3108 9.29613 -13.945 9.29613 62.946
GPRESSAVG: 50900 -12.0263 -38.8112 -15.3073 -43.4328
-34.9742 4.04399 -13.0796 15.3291 63.9127
ENERGY: 50900 1636.0634 4362.0837
2559.1884 269.3664 -84655.3453
4145.4087 0.0000 0.0000 17502.8696
-54180.
3652 311.2038 -54087.9141 -54081.7848
309.6896 -47.0804 -39.3092
471045.7223 5.9622 5.6374
PRESSURE: 51000 35.8585 -231.215 -36.8476 -231.215
-135.458 -13.3591 -36.8476 -13.3591 79.9601
GPRESSURE: 51000 5.71413 -243.097 -66.7143 -216.399
-87.96 -80.9273 6.52696 11.231 101.824
PRESSAVG: 51000 -46.119 -76.399 -21.4982 -76.399
-14.2425 24.5619 -21.4982 24.5619 53.5343
GPRESSAVG: 51000 -46.4981 -79.7294 -21.803 -73.2693
-13.1207 31.5885 -19.4985 18.8813 51.8539
ETITLE: TS BOND ANGLE
DIHED IMPRP ELECT
VDW BOUNDARY MISC KINETIC
T
OTAL TEMP TOTAL2 TOTAL3
TEMPAVG PRESSURE GPRESSURE
VOLUME PRESSAVG GPRESSAVG
ENERGY: 51000 1569.5257 4535.3550
2513.9999 258.9228 -84339.3830
3938.1555 0.0000 0.0000 17348.6340
-54174.
7901 308.4614 -54083.1716 -54075.7037
309.4288 -6.5465 6.5259
470401.0647 -2.2757 -2.5883
WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 51000
WRITING COORDINATES TO DCD FILE AT STEP 51000
WRITING COORDINATES TO RESTART FILE AT STEP 51000
FINISHED WRITING RESTART COORDINATES
WRITING VELOCITIES TO RESTART FILE AT STEP 51000
FINISHED WRITING RESTART VELOCITIES
Info: Configuration file is -p4pg
FATAL ERROR: Simulation config file is not accessible.
Stack Traceback:
[0] main+0x1bb [0x80ed03b]
[1] __libc_start_main+0xc7 [0x420158f7]
[2] sinh+0x65 [0x80eaed1]
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This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:39:25 CST