190.16s
Test: UNRES_CSA_local_E0LL2Y
(Passed)
Build: Linux-gfortan-MPI E0LL2Y
(m10)
on 2023-03-06 03:07:54
Repository revision: cfd3f3ea9ccac7a6b9cb0e802b4c9e5927a506f6
Show Command Line/users2/local/mpich3.2_gnu/bin/mpiexec "-np" "4" "/tmp/cdash/build/source/unres/src_CSA/test_csa_E0LL2Y.sh" "1l2y_csa_local"
Show Test Time Graph
Show Failing/Passing Graph
Test outputCTEST_FULL_OUTPUT
CTEST_FULL_OUTPUT
CTEST_FULL_OUTPUT
CTEST_FULL_OUTPUT
Processor 3 out of 4 rank in CG_COMM 3 size of CG_COMM 4 size of FG_COMM 1 rank in FG_COMM1 0 size of FG_COMM1 1
Inside initialize Processor 1 out of 4 rank in CG_COMM 1 size of CG_COMM 4 size of FG_COMM 1 rank in FG_COMM1 0 size of FG_COMM1 1
Inside initialize Processor 2 out of 4 rank in CG_COMM 2 size of CG_COMM 4 size of FG_COMM 1 rank in FG_COMM1 0 size of FG_COMM1 1
Inside initialize Processor 0 out of 4 rank in CG_COMM 0 size of CG_COMM 4 size of FG_COMM 1 rank in FG_COMM1 0 size of FG_COMM1 1
Inside initialize MPI: node= 3 iseed= -12238971
indpdb= 0 pdbref= F
Call Read_Bridge.
ns= 0
Processor 3 0 0 ivec_start 1 ivec_end 21
MPI: node= 1 iseed= -6119485
indpdb= 0 pdbref= F
Call Read_Bridge.
ns= 0
Processor 1 0 0 ivec_start 1 ivec_end 21
MPI: node= 2 iseed= -9179228
indpdb= 0 pdbref= F
Call Read_Bridge.
ns= 0
Processor 2 0 0 ivec_start 1 ivec_end 21
MPI: node= 0 iseed= -3059742
indpdb= 0 pdbref= F
Call Read_Bridge.
ns= 0
Processor 0 0 0 ivec_start 1 ivec_end 21
Exitted from make_ranvar nconfr= 100
FEEDIN: NCONF= 100
UPDATING 97 97
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UPDATING 100 100
End of cycle, master time for 43 iters 64.918762922286987 sec, Eval/s 21177.375201153442
UPDATING 3 4
End of minim, proc 1 time 1678069115.2744319
End of minim, proc 2 time 1678069115.2744100
End of minim, proc 3 time 1678069115.2744219
Exitted from make_ranvar nconfr= 100
FEEDIN: NCONF= 100
UPDATING 97 97
UPDATING 100 100
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End of cycle, master time for 63 iters 104.40756702423096 sec, Eval/s 20839.753880051940
UPDATING 3 4
End of minim, proc 1 time 1678069223.3624430
End of minim, proc 2 time 1678069223.3624530
End of minim, proc 3 time 1678069223.3624301
Exitted from make_ranvar nconfr= 100
FEEDIN: NCONF= 100
UPDATING 97 97
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
End of minim, proc 2 time 1678069236.3079591
End of minim, proc 1 time 1678069236.3589809
End of cycle, master time for 4 iters 9.3759720325469971 sec, Eval/s 20738.969711621241
UPDATING 3 4
End of minim, proc 3 time 1678069236.4062610
End of RUN, master time 186.06343007087708 sec, Eval/s 20951.145523411258
CG processor 0 is finishing work.
CG processor 1 is finishing work.
CG processor 2 is finishing work.
CG processor 3 is finishing work.
Note: The following floating-point exceptions are signalling: IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
STOP Bye Bye...
Note: The following floating-point exceptions are signalling: IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
STOP Bye Bye...
Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_OVERFLOW_FLAG IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
STOP Bye Bye...
STOP Bye Bye...
Emin= 31.49432
Emin= 31.49432
difference .03245 from reference emin 31.52677
Emin= 31.49432
Emin= 31.49432
difference .03245 from reference emin 31.52677
grep: 1l2y_csa_local_4P*.pdb: No such file or directory
grep: 1l2y_csa_local_4P*.pdb: No such file or directory
difference .03245 from reference emin 31.52677
difference .03245 from reference emin 31.52677
grep: 1l2y_csa_local_4P*.pdb: No such file or directory
grep: 1l2y_csa_local_4P*.pdb: No such file or directory