107.46s
Test: UNRES_CSA_local
(Passed)
Build: prerelease-3.2.1 Linux-ifort-MPI
(miracle1.macierz)
on 2017-08-04 03:54:14
Repository revision: 589a8f3e38b7ce802f8577e862e54849030a5556
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
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
size of CG_COMM 4 size of FG_COMM 1 rank in FG_COMM1
Inside initializeInside initializeInside initialize 0 size of FG_COMM1 1
Inside initialize MPI: node= 1 iseed= -6119485
MPI: node= 2 iseed= -9179228
MPI: node= 3 iseed= -12238971
MPI: node= 0 iseed= -3059742
indpdb= 0 pdbref= F
indpdb= 0 pdbref= F
Call Read_Bridge.
Call Read_Bridge.
ns= 0
ns= 0
Processor 2 0 0 ivec_start 1 ivec_end
21
Processor 1 0 0 ivec_start 1 ivec_end
21
indpdb= 0 pdbref= F
indpdb= 0 pdbref= F
Call Read_Bridge.
ns= 0
Call Read_Bridge.
ns= 0
Processor 0 0 0 ivec_start 1 ivec_end
21
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
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
UPDATING 100 100
UPDATING 100 100
End of minim, proc 2 time 35.8589329719543
End of minim, proc 1 time 35.8711209297180
End of cycle, master time for 33 iters 35.8650171756744
End of minim, proc 3 time 35.8719379901886
sec, Eval/s 18597.8441536173
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 66.8207440376282
End of minim, proc 3 time 66.8327019214630
End of cycle, master time for 26 iters 28.5888600349426
End of minim, proc 2 time 66.8573160171509
sec, Eval/s 18374.4996952641
UPDATING 3 4
Exitted from make_ranvar nconfr= 100
FEEDIN: NCONF= 100
UPDATING 97 97
UPDATING 100 100
End of minim, proc 1 time 71.7279438972473
End of minim, proc 2 time 71.7279598712921
End of cycle, master time for 2 iters 2.39867496490479
sec, Eval/s 18624.4491870008
End of minim, proc 3 time 71.7279829978943
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
UPDATING 100 100
UPDATING 100 100
End of minim, proc 1 time 104.931463003159
End of minim, proc 2 time 104.931479930878
End of cycle, master time for 28 iters 30.7676849365234
sec, Eval/s 18500.3519495971
End of minim, proc 3 time 104.931509017944
UPDATING 3 4
End of RUN, master time 104.941149950027 sec, Eval/s
18488.6386410281
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
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 103700 m 156 rms 3.40 %NC 46.7 ENERGY -1.92327E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e 111656 m 184 rms 3.40 %NC 46.7 ENERGY -1.92327E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e 121484 m 201 rms 3.38 %NC 46.7 ENERGY -2.00130E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 134597 m 245 rms 3.38 %NC 46.7 ENERGY -2.00131E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 144912 m 270 rms 3.38 %NC 46.7 ENERGY -2.00133E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 148825 m 282 rms 3.39 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 153148 m 297 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 172190 m 363 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
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 103700 m 156 rms 3.40 %NC 46.7 ENERGY -1.92327E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e 111656 m 184 rms 3.40 %NC 46.7 ENERGY -1.92327E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e 121484 m 201 rms 3.38 %NC 46.7 ENERGY -2.00130E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 134597 m 245 rms 3.38 %NC 46.7 ENERGY -2.00131E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 144912 m 270 rms 3.38 %NC 46.7 ENERGY -2.00133E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 148825 m 282 rms 3.39 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 153148 m 297 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 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 103700 m 156 rms 3.40 %NC 46.7 ENERGY -1.92327E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e 111656 m 184 rms 3.40 %NC 46.7 ENERGY -1.92327E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e 121484 m 201 rms 3.38 %NC 46.7 ENERGY -2.00130E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 134597 m 245 rms 3.38 %NC 46.7 ENERGY -2.00131E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 144912 m 270 rms 3.38 %NC 46.7 ENERGY -2.00133E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 148825 m 282 rms 3.39 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 153148 m 297 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 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 103700 m 156 rms 3.40 %NC 46.7 ENERGY -1.92327E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e 111656 m 184 rms 3.40 %NC 46.7 ENERGY -1.92327E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e 121484 m 201 rms 3.38 %NC 46.7 ENERGY -2.00130E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 134597 m 245 rms 3.38 %NC 46.7 ENERGY -2.00131E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 144912 m 270 rms 3.38 %NC 46.7 ENERGY -2.00133E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 148825 m 282 rms 3.39 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 153148 m 297 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 172190 m 363 rms 3.38 %NC 46.7 ENERGY -2.00135E+02