Saturday, June 15 2024 14:56:48
UNRES
7.02s| 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 243.76390134770489 refstr= T after hairpin after secondary Processor 1 CG group 0 absolute rank 1 leves ERGASTULUM. Total wall clock time 6.9306988716125488 sec Processor 1 wait times for respective orders order[ 0 ] 4.3726444244384766E-002 order[ 1 ] 0.33780384063720703 order[ 2 ] 0.0000000000000000 order[ 3 ] 0.0000000000000000 order[ 4 ] 0.0000000000000000 order[ 5 ] 0.0000000000000000 order[ 6 ] 0.0000000000000000 order[ 7 ] 1.5309157371520996 order[ 8 ] 2.3197305032362569E-310 order[ 9 ] 2.0595683258875225E-316 order[ 10 ] 6.9532251959586639E-310 Processor 0 BROADCAST time 3.9646625518798828E-003 REDUCE time 3.4188985824584961E-002 GATHER time 0.0000000000000000 SCATTER time 0.0000000000000000 SENDRECV 0.0000000000000000 BARRIER ene 3.0009746551513672E-003 BARRIER grad 1.8560886383056641E-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
