Sunday, September 22 2024 03:00:08
UNRES
12.16s| Exit Value | 1 |
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CTEST_FULL_OUTPUT STOP Bye Bye... STOP Bye Bye... MPI: node= 0 iseed= -3059742 indpdb= 25 pdbref= T Call Read_Bridge. ns= 0 ns= 0 dc 65.917000000000002 dc 65.917000000000002 122.68350000000001 48.083500000000001 after etotal after hairpin after secondary Calling MINIM_DC SUMSL return code is 4 eval 1663 # eval/s 139.59510538677353 refstr= T after hairpin after secondary Processor 1 CG group 0 absolute rank 1 leves ERGASTULUM. Total wall clock time 12.039263963699341 sec Processor 0 BROADCAST time 1.4925956726074219E-002 REDUCE time 0.11841297149658203 GATHER time 0.0000000000000000 SCATTER time 0.0000000000000000 SENDRECV 0.0000000000000000 BARRIER ene 1.2916326522827148E-002 BARRIER grad 2.2961139678955078E-002 CG processor 0 is finishing work. Processor 1 wait times for respective orders order[ 0 ] 0.12609815597534180 order[ 1 ] 0.59784173965454102 order[ 2 ] 0.0000000000000000 order[ 3 ] 0.0000000000000000 order[ 4 ] 0.0000000000000000 order[ 5 ] 0.0000000000000000 order[ 6 ] 0.0000000000000000 order[ 7 ] 2.7650830745697021 order[ 8 ] 2.3189844360702421E-310 order[ 9 ] 2.0595683258875225E-316 order[ 10 ] 6.9532992760675312E-310 SUMSL return code 23 ERROR = SUMSL return code 23 is not 4 but not failing this test, it is known problem with esccor WARNING: energy is somewhat different 4.319100, ene= -319.374000
