127.20s
Test: UNRES_CSA_local
(Passed)
Build: prerelease-3.2.1 Linux-ifort-MPI
(miracle1.macierz)
on 2017-01-16 03:53:28
Repository revision: 6f0e7ef07e02a56fff97df63bd7f07d4b6fb50ce
Show Command Line/users/local/mpich2-1.4.1p1_intel/bin/mpiexec "-np" "4" "/tmp/cdash/prerelease/build/source/unres/src_CSA/test_csa_4P.sh" "1l2y_csa_local_4P"
Show Test Time Graph
Show Failing/Passing Graph
Test outputCTEST_FULL_OUTPUT
CTEST_FULL_OUTPUT
CTEST_FULL_OUTPUT
CTEST_FULL_OUTPUT
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
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
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
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 initializeInside initializeInside initializeInside initialize MPI: node= 1 iseed= -6119485
MPI: node= 0 iseed= -3059742
indpdb= 0 pdbref= F
indpdb= 0 pdbref= F
Call Read_Bridge.
ns= 0
Call Read_Bridge.
ns= 0
Processor 1 0 0 ivec_start 1 ivec_end
21
Processor 0 0 0 ivec_start 1 ivec_end
21
MPI: node= 2 iseed= -9179228
MPI: node= 3 iseed= -12238971
indpdb= 0 pdbref= F
Call Read_Bridge.
ns= 0
Processor 2 0 0 ivec_start 1 ivec_end
21
indpdb= 0 pdbref= F
Call Read_Bridge.
ns= 0
Processor 3 0 0 ivec_start 1 ivec_end
21
Exitted from make_ranvar nconfr= 100
FEEDIN: NCONF= 100
UPDATING 97 97
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
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UPDATING 100 100
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UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
End of minim, proc 1 time 32.4682559967041
End of minim, proc 2 time 32.4698150157928
End of cycle, master time for 30 iters 32.4898140430450
sec, Eval/s 18560.3401484868
End of minim, proc 3 time 32.4967670440674
UPDATING 3 4
Exitted from make_ranvar nconfr= 100
FEEDIN: NCONF= 100
UPDATING 97 97
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
End of minim, proc 1 time 62.7065730094910
End of minim, proc 3 time 62.7102339267731
End of cycle, master time for 26 iters 27.8126749992371
sec, Eval/s 18567.3258690207
End of minim, proc 2 time 62.7137019634247
UPDATING 3 4
Exitted from make_ranvar nconfr= 100
FEEDIN: NCONF= 100
UPDATING 97 97
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
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UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
End of minim, proc 2 time 94.3726670742035
End of minim, proc 3 time 94.3726880550385
End of cycle, master time for 27 iters 29.1769049167633
sec, Eval/s 18384.3009232901
End of minim, proc 1 time 94.3727138042450
UPDATING 3 4
Exitted from make_ranvar nconfr= 100
FEEDIN: NCONF= 100
UPDATING 97 97
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
End of minim, proc 2 time 124.653137922287
End of minim, proc 3 time 124.653153896332
End of cycle, master time for 26 iters 27.8351981639862
sec, Eval/s 18435.0403031769
End of minim, proc 1 time 124.653175830841
UPDATING 3 4
End of RUN, master time 124.663008928299 sec, Eval/s
18473.6676885810
CG processor 0 is finishing work.
CG processor 1 is finishing work.
CG processor 2 is finishing work.
CG processor 3 is finishing work.
Bye Bye...
Bye Bye...
Bye Bye...
Bye Bye...
Emin= -200.13486
Emin= -200.13486
Emin= -200.13486
Emin= -200.13486
difference 0 from reference emin -200.13486
difference 0 from reference emin -200.13486
difference 0 from reference emin -200.13486
difference 0 from reference emin -200.13486
1l2y_csa_local_4P@001.pdb:REMARK GM 1 e 5518 m 1 rms 2.55 %NC 53.3 ENERGY -1.73999E+02
1l2y_csa_local_4P@002.pdb:REMARK GM 2 e 6765 m 2 rms 2.39 %NC 46.7 ENERGY -1.87312E+02
1l2y_csa_local_4P@003.pdb:REMARK GM 3 e 19843 m 5 rms 3.48 %NC 46.7 ENERGY -1.88036E+02
1l2y_csa_local_4P@004.pdb:REMARK GM 4 e 55499 m 24 rms 2.40 %NC 46.7 ENERGY -1.88413E+02
1l2y_csa_local_4P@005.pdb:REMARK GM 5 e 72041 m 69 rms 2.40 %NC 46.7 ENERGY -1.88871E+02
1l2y_csa_local_4P@006.pdb:REMARK GM 6 e 72548 m 71 rms 2.41 %NC 46.7 ENERGY -1.88917E+02
1l2y_csa_local_4P@007.pdb:REMARK GM 7 e 73144 m 73 rms 3.39 %NC 46.7 ENERGY -1.92326E+02
1l2y_csa_local_4P@008.pdb:REMARK GM 8 e 98589 m 141 rms 3.39 %NC 46.7 ENERGY -1.92326E+02
1l2y_csa_local_4P@009.pdb:REMARK GM 9 e 103672 m 156 rms 3.40 %NC 46.7 ENERGY -1.92327E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e 103891 m 157 rms 3.40 %NC 46.7 ENERGY -1.92327E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e 111656 m 184 rms 3.40 %NC 46.7 ENERGY -1.92327E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 121484 m 201 rms 3.38 %NC 46.7 ENERGY -2.00130E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 134597 m 245 rms 3.38 %NC 46.7 ENERGY -2.00131E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 144912 m 270 rms 3.38 %NC 46.7 ENERGY -2.00133E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 148499 m 282 rms 3.39 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 153148 m 297 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 172190 m 363 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@001.pdb:REMARK GM 1 e 5518 m 1 rms 2.55 %NC 53.3 ENERGY -1.73999E+02
1l2y_csa_local_4P@002.pdb:REMARK GM 2 e 6765 m 2 rms 2.39 %NC 46.7 ENERGY -1.87312E+02
1l2y_csa_local_4P@003.pdb:REMARK GM 3 e 19843 m 5 rms 3.48 %NC 46.7 ENERGY -1.88036E+02
1l2y_csa_local_4P@004.pdb:REMARK GM 4 e 55499 m 24 rms 2.40 %NC 46.7 ENERGY -1.88413E+02
1l2y_csa_local_4P@005.pdb:REMARK GM 5 e 72041 m 69 rms 2.40 %NC 46.7 ENERGY -1.88871E+02
1l2y_csa_local_4P@006.pdb:REMARK GM 6 e 72548 m 71 rms 2.41 %NC 46.7 ENERGY -1.88917E+02
1l2y_csa_local_4P@007.pdb:REMARK GM 7 e 73144 m 73 rms 3.39 %NC 46.7 ENERGY -1.92326E+02
1l2y_csa_local_4P@008.pdb:REMARK GM 8 e 98589 m 141 rms 3.39 %NC 46.7 ENERGY -1.92326E+02
1l2y_csa_local_4P@009.pdb:REMARK GM 9 e 103672 m 156 rms 3.40 %NC 46.7 ENERGY -1.92327E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e 103891 m 157 rms 3.40 %NC 46.7 ENERGY -1.92327E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e 111656 m 184 rms 3.40 %NC 46.7 ENERGY -1.92327E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 121484 m 201 rms 3.38 %NC 46.7 ENERGY -2.00130E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 134597 m 245 rms 3.38 %NC 46.7 ENERGY -2.00131E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 144912 m 270 rms 3.38 %NC 46.7 ENERGY -2.00133E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 148499 m 282 rms 3.39 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 153148 m 297 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 172190 m 363 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@001.pdb:REMARK GM 1 e 5518 m 1 rms 2.55 %NC 53.3 ENERGY -1.73999E+02
1l2y_csa_local_4P@002.pdb:REMARK GM 2 e 6765 m 2 rms 2.39 %NC 46.7 ENERGY -1.87312E+02
1l2y_csa_local_4P@003.pdb:REMARK GM 3 e 19843 m 5 rms 3.48 %NC 46.7 ENERGY -1.88036E+02
1l2y_csa_local_4P@004.pdb:REMARK GM 4 e 55499 m 24 rms 2.40 %NC 46.7 ENERGY -1.88413E+02
1l2y_csa_local_4P@005.pdb:REMARK GM 5 e 72041 m 69 rms 2.40 %NC 46.7 ENERGY -1.88871E+02
1l2y_csa_local_4P@006.pdb:REMARK GM 6 e 72548 m 71 rms 2.41 %NC 46.7 ENERGY -1.88917E+02
1l2y_csa_local_4P@007.pdb:REMARK GM 7 e 73144 m 73 rms 3.39 %NC 46.7 ENERGY -1.92326E+02
1l2y_csa_local_4P@008.pdb:REMARK GM 8 e 98589 m 141 rms 3.39 %NC 46.7 ENERGY -1.92326E+02
1l2y_csa_local_4P@009.pdb:REMARK GM 9 e 103672 m 156 rms 3.40 %NC 46.7 ENERGY -1.92327E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e 103891 m 157 rms 3.40 %NC 46.7 ENERGY -1.92327E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e 111656 m 184 rms 3.40 %NC 46.7 ENERGY -1.92327E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 121484 m 201 rms 3.38 %NC 46.7 ENERGY -2.00130E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 134597 m 245 rms 3.38 %NC 46.7 ENERGY -2.00131E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 144912 m 270 rms 3.38 %NC 46.7 ENERGY -2.00133E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 148499 m 282 rms 3.39 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 153148 m 297 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 172190 m 363 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@001.pdb:REMARK GM 1 e 5518 m 1 rms 2.55 %NC 53.3 ENERGY -1.73999E+02
1l2y_csa_local_4P@002.pdb:REMARK GM 2 e 6765 m 2 rms 2.39 %NC 46.7 ENERGY -1.87312E+02
1l2y_csa_local_4P@003.pdb:REMARK GM 3 e 19843 m 5 rms 3.48 %NC 46.7 ENERGY -1.88036E+02
1l2y_csa_local_4P@004.pdb:REMARK GM 4 e 55499 m 24 rms 2.40 %NC 46.7 ENERGY -1.88413E+02
1l2y_csa_local_4P@005.pdb:REMARK GM 5 e 72041 m 69 rms 2.40 %NC 46.7 ENERGY -1.88871E+02
1l2y_csa_local_4P@006.pdb:REMARK GM 6 e 72548 m 71 rms 2.41 %NC 46.7 ENERGY -1.88917E+02
1l2y_csa_local_4P@007.pdb:REMARK GM 7 e 73144 m 73 rms 3.39 %NC 46.7 ENERGY -1.92326E+02
1l2y_csa_local_4P@008.pdb:REMARK GM 8 e 98589 m 141 rms 3.39 %NC 46.7 ENERGY -1.92326E+02
1l2y_csa_local_4P@009.pdb:REMARK GM 9 e 103672 m 156 rms 3.40 %NC 46.7 ENERGY -1.92327E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e 103891 m 157 rms 3.40 %NC 46.7 ENERGY -1.92327E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e 111656 m 184 rms 3.40 %NC 46.7 ENERGY -1.92327E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 121484 m 201 rms 3.38 %NC 46.7 ENERGY -2.00130E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 134597 m 245 rms 3.38 %NC 46.7 ENERGY -2.00131E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 144912 m 270 rms 3.38 %NC 46.7 ENERGY -2.00133E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 148499 m 282 rms 3.39 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 153148 m 297 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 172190 m 363 rms 3.38 %NC 46.7 ENERGY -2.00135E+02