From: Mauricio Carrillo Tripp (trippm_at_gmail.com)
Date: Thu Mar 17 2005 - 13:36:47 CST
Hi,
I'm using namd2-TCP downloaded from the website.
I ran apoa1 on two different computers. The first one is a
Dell OptiPlex GX280 Single Pentium 4 - 3.2 GHz 512Mb RAM
and I get the following TIMINGs (Notice how the Wall seconds per step
remain ~constant, which is normal):
******************************************************************************************************
TIMING: 20 CPU: 90.05, 4.121/step Wall: 90.2802, 4.12448/step,
1.12278 hours remaining, 279869 kB of memory in use.
TIMING: 40 CPU: 172.4, 4.1175/step Wall: 172.697, 4.12084/step,
1.09889 hours remaining, 283884 kB of memory in use.
TIMING: 60 CPU: 254.7, 4.115/step Wall: 255.098, 4.12006/step,
1.07579 hours remaining, 286862 kB of memory in use.
TIMING: 80 CPU: 335.91, 4.0605/step Wall: 337.388, 4.11449/step,
1.05148 hours remaining, 288504 kB of memory in use.
TIMING: 100 CPU: 417.97, 4.103/step Wall: 419.949, 4.12807/step,
1.03202 hours remaining, 290165 kB of memory in use.
TIMING: 120 CPU: 500.26, 4.1145/step Wall: 502.308, 4.11793/step,
1.0066 hours remaining, 291598 kB of memory in use.
TIMING: 140 CPU: 582.47, 4.1105/step Wall: 584.603, 4.11476/step,
0.982971 hours remaining, 293000 kB of memory in use.
TIMING: 160 CPU: 663.65, 4.059/step Wall: 666.847, 4.11217/step,
0.959507 hours remaining, 294274 kB of memory in use.
TIMING: 180 CPU: 745.56, 4.0955/step Wall: 748.878, 4.10158/step,
0.934249 hours remaining, 295159 kB of memory in use.
TIMING: 200 CPU: 827.48, 4.096/step Wall: 831.137, 4.11295/step,
0.91399 hours remaining, 296419 kB of memory in use.
TIMING: 220 CPU: 909.3, 4.091/step Wall: 913.088, 4.09753/step,
0.887799 hours remaining, 297482 kB of memory in use.
TIMING: 240 CPU: 990.03, 4.0365/step Wall: 994.887, 4.08994/step,
0.863433 hours remaining, 298349 kB of memory in use.
TIMING: 260 CPU: 1071.62, 4.0795/step Wall: 1076.54, 4.08245/step,
0.839171 hours remaining, 299404 kB of memory in use.
TIMING: 280 CPU: 1153.16, 4.077/step Wall: 1158.16, 4.08127/step,
0.816254 hours remaining, 300202 kB of memory in use.
TIMING: 300 CPU: 1234.63, 4.0735/step Wall: 1240.01, 4.09221/step,
0.795708 hours remaining, 300614 kB of memory in use.
TIMING: 320 CPU: 1315.08, 4.0225/step Wall: 1321.49, 4.07428/step,
0.769587 hours remaining, 301113 kB of memory in use.
TIMING: 340 CPU: 1396.36, 4.064/step Wall: 1402.85, 4.06783/step,
0.74577 hours remaining, 301640 kB of memory in use.
TIMING: 360 CPU: 1477.61, 4.0625/step Wall: 1484.23, 4.06916/step,
0.723406 hours remaining, 302189 kB of memory in use.
TIMING: 380 CPU: 1558.73, 4.056/step Wall: 1565.45, 4.06095/step,
0.699386 hours remaining, 302641 kB of memory in use.
TIMING: 400 CPU: 1639.8, 4.0535/step Wall: 1646.89, 4.07175/step,
0.678624 hours remaining, 303089 kB of memory in use.
TIMING: 420 CPU: 1719.52, 3.986/step Wall: 1727.71, 4.0412/step,
0.651082 hours remaining, 303539 kB of memory in use.
TIMING: 440 CPU: 1800.18, 4.033/step Wall: 1808.46, 4.03748/step,
0.628053 hours remaining, 303857 kB of memory in use.
TIMING: 460 CPU: 1880.82, 4.032/step Wall: 1889.17, 4.03542/step,
0.605312 hours remaining, 304213 kB of memory in use.
TIMING: 480 CPU: 1961.42, 4.03/step Wall: 1969.86, 4.03463/step,
0.582779 hours remaining, 304598 kB of memory in use.
TIMING: 500 CPU: 2041.05, 3.9815/step Wall: 2050.54, 4.03407/step,
0.560288 hours remaining, 305026 kB of memory in use.
******************************************************************************************************
The second computer is a
Dell PowerEdge 400SC Single Pentium 4 - 2.4 GHz 256Mb RAM
and I get the following TIMINGs (Notice how the Wall seconds per step
does NOT remain ~constant):
******************************************************************************************************
TIMING: 20 CPU: 111.01, 5.091/step Wall: 173.636, 8.0899/step,
2.20225 hours remaining, 279743 kB of memory in use.
TIMING: 40 CPU: 213.91, 5.145/step Wall: 395.754, 11.1059/step,
2.96158 hours remaining, 283758 kB of memory in use.
TIMING: 60 CPU: 316.3, 5.1195/step Wall: 635.602, 11.9924/step,
3.13134 hours remaining, 286735 kB of memory in use.
TIMING: 80 CPU: 419.02, 5.136/step Wall: 927.564, 14.5981/step,
3.73062 hours remaining, 288377 kB of memory in use.
TIMING: 100 CPU: 522.4, 5.169/step Wall: 1236.56, 15.4499/step,
3.86247 hours remaining, 290038 kB of memory in use.
TIMING: 120 CPU: 625.55, 5.1575/step Wall: 1528.07, 14.5754/step,
3.56289 hours remaining, 291472 kB of memory in use.
TIMING: 140 CPU: 728.41, 5.143/step Wall: 1853.9, 16.2914/step,
3.89184 hours remaining, 292874 kB of memory in use.
TIMING: 160 CPU: 831.75, 5.167/step Wall: 2218.77, 18.2436/step,
4.25683 hours remaining, 294147 kB of memory in use.
TIMING: 180 CPU: 934.55, 5.14/step Wall: 2588.16, 18.4693/step,
4.20689 hours remaining, 295032 kB of memory in use.
TIMING: 200 CPU: 1037.45, 5.145/step Wall: 3004.76, 20.8301/step,
4.62891 hours remaining, 296292 kB of memory in use.
TIMING: 220 CPU: 1140.35, 5.145/step Wall: 3441.73, 21.8489/step,
4.73392 hours remaining, 297356 kB of memory in use.
TIMING: 240 CPU: 1242.93, 5.129/step Wall: 3852.08, 20.5172/step,
4.3314 hours remaining, 298223 kB of memory in use.
TIMING: 260 CPU: 1345.65, 5.136/step Wall: 4274.03, 21.0977/step,
4.33674 hours remaining, 299277 kB of memory in use.
TIMING: 280 CPU: 1447.67, 5.101/step Wall: 4713.3, 21.9636/step,
4.39273 hours remaining, 300076 kB of memory in use.
TIMING: 300 CPU: 1550.01, 5.117/step Wall: 5168.26, 22.748/step,
4.42322 hours remaining, 300487 kB of memory in use.
TIMING: 320 CPU: 1651.6, 5.0795/step Wall: 5625.37, 22.8554/step,
4.31713 hours remaining, 300987 kB of memory in use.
TIMING: 340 CPU: 1753.42, 5.091/step Wall: 6065.12, 21.9874/step,
4.03103 hours remaining, 301513 kB of memory in use.
TIMING: 360 CPU: 1855.29, 5.0935/step Wall: 6514.02, 22.4448/step,
3.99019 hours remaining, 302063 kB of memory in use.
TIMING: 380 CPU: 1958.14, 5.1425/step Wall: 7024.78, 25.538/step,
4.39822 hours remaining, 302515 kB of memory in use.
TIMING: 400 CPU: 2062.66, 5.226/step Wall: 7580.02, 27.7624/step,
4.62706 hours remaining, 302962 kB of memory in use.
TIMING: 420 CPU: 2164.59, 5.0965/step Wall: 8084.15, 25.2061/step,
4.06099 hours remaining, 303412 kB of memory in use.
TIMING: 440 CPU: 2265.78, 5.0595/step Wall: 8587.09, 25.1473/step,
3.91181 hours remaining, 303730 kB of memory in use.
TIMING: 460 CPU: 2367.18, 5.07/step Wall: 9058.76, 23.5833/step,
3.5375 hours remaining, 304087 kB of memory in use.
TIMING: 480 CPU: 2468.61, 5.0715/step Wall: 9567.89, 25.4564/step,
3.67703 hours remaining, 304472 kB of memory in use.
TIMING: 500 CPU: 2569.44, 5.0415/step Wall: 10031, 23.1577/step,
3.21635 hours remaining, 304900 kB of memory in use.
******************************************************************************************************
Has anyone else seen this behaviour? Could it be because of the memory?
Thanks.
-- Mauricio Carrillo Tripp, PhD Department of Chemistry Wabash College trippm_at_wabash.edu http://chem.acad.wabash.edu/~trippm
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