Sunday, September 22 2024 19:40:03
UNRES
6.98s| 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 243.38345994159462 refstr= T after hairpin after secondary Processor 1 CG group 0 absolute rank 1 leves ERGASTULUM. Total wall clock time 6.9186689853668213 sec Processor 1 wait times for respective orders order[ 0 ] 4.2538642883300781E-002 order[ 1 ] 0.33830142021179199 order[ 2 ] 0.0000000000000000 order[ 3 ] 0.0000000000000000 order[ 4 ] 0.0000000000000000 order[ 5 ] 0.0000000000000000 order[ 6 ] 0.0000000000000000 order[ 7 ] 1.5293667316436768 order[ 8 ] 2.3465753254368788E-310 order[ 9 ] 2.0595683258875225E-316 order[ 10 ] 6.9532765624729695E-310 Processor 0 BROADCAST time 3.6311149597167969E-003 REDUCE time 3.3694028854370117E-002 GATHER time 0.0000000000000000 SCATTER time 0.0000000000000000 SENDRECV 0.0000000000000000 BARRIER ene 3.1664371490478516E-003 BARRIER grad 2.0534992218017578E-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
