Tuesday, October 01 2024 01:36:07
UNRES
7.12s| 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 ns= 0 Call Read_Bridge. 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 239.74627546793579 refstr= T after hairpin after secondary Processor 1 CG group 0 absolute rank 1 leves ERGASTULUM. Total wall clock time 7.0130589008331299 sec Processor 1 wait times for respective orders order[ 0 ] 5.1069498062133789E-002 order[ 1 ] 0.35655593872070312 order[ 2 ] 0.0000000000000000 order[ 3 ] 3.1829936864479085E-310 order[ 4 ] 0.0000000000000000 order[ 5 ] 0.0000000000000000 order[ 6 ] 0.0000000000000000 order[ 7 ] 1.5466699600219727 order[ 8 ] 0.0000000000000000 order[ 9 ] 2.0595683258875225E-316 order[ 10 ] 6.9525922964450132E-310 Processor 0 BROADCAST time 4.9982070922851562E-003 REDUCE time 3.6248207092285156E-002 GATHER time 0.0000000000000000 SCATTER time 0.0000000000000000 SENDRECV 0.0000000000000000 BARRIER ene 3.5977363586425781E-003 BARRIER grad 2.1500587463378906E-003 CG processor 0 is finishing work. 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
