I think I do not have any cuda installed, but the calculation with your original input can finish on Ubuntu 17.10, which has been repeated for two times.
...
Iterations converged
CCSD correlation energy / hartree = -0.213269954064232
CCSD total energy / hartree = -76.240077811240894
Singles contributions
Doubles contributions
CCSD(T)
Using plain CCSD(T) code
total no. of tasks 230
total no. of tasks / no. procs 57
wl_min 12 1.5
wl_max 13824 4.9
thresh for no. of tasks 230
0task 18 done 7% at 0.0 sec, (size)^1/6= 3.4
0task 25 done 10% at 0.0 sec, (size)^1/6= 3.5
0task 39 done 16% at 0.0 sec, (size)^1/6= 2.7
0task 49 done 21% at 0.0 sec, (size)^1/6= 2.4
0task 62 done 26% at 0.0 sec, (size)^1/6= 2.7
0task 71 done 30% at 0.0 sec, (size)^1/6= 2.1
0task 86 done 37% at 0.0 sec, (size)^1/6= 2.1
0task 96 done 41% at 0.0 sec, (size)^1/6= 2.4
0task 106 done 46% at 0.0 sec, (size)^1/6= 2.7
0task 119 done 51% at 0.0 sec, (size)^1/6= 2.1
0task 127 done 55% at 0.0 sec, (size)^1/6= 2.4
0task 142 done 61% at 0.0 sec, (size)^1/6= 2.4
0task 151 done 65% at 0.0 sec, (size)^1/6= 2.2
0task 161 done 70% at 0.0 sec, (size)^1/6= 2.2
0task 173 done 75% at 0.0 sec, (size)^1/6= 3.1
0task 185 done 80% at 0.0 sec, (size)^1/6= 2.8
0task 199 done 86% at 0.0 sec, (size)^1/6= 2.8
0task 207 done 90% at 0.0 sec, (size)^1/6= 2.4
0task 222 done 96% at 0.0 sec, (size)^1/6= 1.7
CCSD[T] correction energy / hartree = -0.003139909173626
...
Parallel integral file used 4 records with 0 large values
Task times cpu: 0.9s wall: 1.0s
NWChem Input Module
-------------------
Summary of allocated global arrays
No active global arrays
GA Statistics for process 0
------------------------------
create destroy get put acc scatter gather read&inc
calls: 2123 2123 6.21e+04 3613 1.63e+04 0 0 2.41e+04
number of processes/call 1.06e+00 1.12e+00 1.11e+00 0.00e+00 0.00e+00
bytes total: 4.10e+07 4.68e+06 6.99e+06 0.00e+00 0.00e+00 1.93e+05
bytes remote: 2.20e+07 2.42e+06 4.23e+06 0.00e+00 0.00e+00 0.00e+00
Max memory consumed for GA by this process: 1724304 bytes
MA_summarize_allocated_blocks: starting scan ...
MA_summarize_allocated_blocks: scan completed: 0 heap blocks, 0 stack blocks
MA usage statistics:
allocation statistics:
heap stack
---- -----
current number of blocks 0 0
maximum number of blocks 18 27
current total bytes 0 0
maximum total bytes 1061744 22509656
maximum total K-bytes 1062 22510
maximum total M-bytes 2 23
CITATION
--------
Please cite the following reference when publishing
results obtained with NWChem:
M. Valiev, E.J. Bylaska, N. Govind, K. Kowalski,
T.P. Straatsma, H.J.J. van Dam, D. Wang, J. Nieplocha,
E. Apra, T.L. Windus, W.A. de Jong
"NWChem: a comprehensive and scalable open-source
solution for large scale molecular simulations"
Comput. Phys. Commun. 181, 1477 (2010)
doi:10.1016/j.cpc.2010.04.018
AUTHORS
-------
E. Apra, E. J. Bylaska, W. A. de Jong, N. Govind, K. Kowalski,
T. P. Straatsma, M. Valiev, H. J. J. van Dam, D. Wang, T. L. Windus,
J. Hammond, J. Autschbach, K. Bhaskaran-Nair, J. Brabec, K. Lopata,
S. A. Fischer, S. Krishnamoorthy, M. Jacquelin, W. Ma, M. Klemm, O. Villa,
Y. Chen, V. Anisimov, F. Aquino, S. Hirata, M. T. Hackler, V. Konjkov,
D. Mejia-Rodriguez, T. Risthaus, M. Malagoli, A. Marenich,
A. Otero-de-la-Roza, J. Mullin, P. Nichols, R. Peverati, J. Pittner, Y. Zhao,
P.-D. Fan, A. Fonari, M. J. Williamson, R. J. Harrison, J. R. Rehr,
M. Dupuis, D. Silverstein, D. M. A. Smith, J. Nieplocha, V. Tipparaju,
M. Krishnan, B. E. Van Kuiken, A. Vazquez-Mayagoitia, L. Jensen, M. Swart,
Q. Wu, T. Van Voorhis, A. A. Auer, M. Nooijen, L. D. Crosby, E. Brown,
G. Cisneros, G. I. Fann, H. Fruchtl, J. Garza, K. Hirao, R. A. Kendall,
J. A. Nichols, K. Tsemekhman, K. Wolinski, J. Anchell, D. E. Bernholdt,
P. Borowski, T. Clark, D. Clerc, H. Dachsel, M. J. O. Deegan, K. Dyall,
D. Elwood, E. Glendening, M. Gutowski, A. C. Hess, J. Jaffe, B. G. Johnson,
J. Ju, R. Kobayashi, R. Kutteh, Z. Lin, R. Littlefield, X. Long, B. Meng,
T. Nakajima, S. Niu, L. Pollack, M. Rosing, K. Glaesemann, G. Sandrone,
M. Stave, H. Taylor, G. Thomas, J. H. van Lenthe, A. T. Wong, Z. Zhang.
Total times cpu: 0.9s wall: 1.0s
Previously, on the topic on the forum TCE restart on BlueGene/Q raised by Dr. Masterluke, I misread the correction energy for correlation energy, caused by the busyness and carelessness.
Sorry for that.
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