Tuesday, September 24 2024 23:25:21
UNRES
107.16s
Show Command Line
Show Test Time Graph
Show Failing/Passing Graph
CTEST_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= 3 iseed= -12238971
MPI: node= 2 iseed= -9179228
MPI: node= 0 iseed= -3059742
MPI: node= 1 iseed= -6119485
indpdb= 0 pdbref= F
indpdb= 0 pdbref= F
Call Read_Bridge.
ns= 0
Call Read_Bridge.
ns= 0
indpdb= 0 pdbref= F
indpdb= 0 pdbref= F
Processor 2 0 0 ivec_start 1 ivec_end
21
Processor 3 0 0 ivec_start 1 ivec_end
21
Call Read_Bridge.
ns= 0
Processor 1 0 0 ivec_start 1 ivec_end
21
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
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 3 time 35.8386380672455
End of minim, proc 1 time 35.8522469997406
End of cycle, master time for 33 iters 35.8460309505463
sec, Eval/s 18607.7504904301
End of minim, proc 2 time 35.8525869846344
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 3 time 66.4954841136932
End of minim, proc 2 time 66.5070130825043
End of cycle, master time for 26 iters 28.2802240848541
sec, Eval/s 18575.2064207065
End of minim, proc 1 time 66.5314221382141
UPDATING 3 4
Exitted from make_ranvar nconfr= 100
FEEDIN: NCONF= 100
UPDATING 97 97
UPDATING 100 100
End of minim, proc 3 time 71.4092230796814
End of minim, proc 2 time 71.4092400074005
End of cycle, master time for 2 iters 2.40126085281372
sec, Eval/s 18604.3927496059
End of minim, proc 1 time 71.4096541404724
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 3 time 104.619549036026
End of minim, proc 1 time 104.619568109512
End of cycle, master time for 28 iters 30.7746829986572
sec, Eval/s 18496.1450301482
End of minim, proc 2 time 104.619589090347
UPDATING 3 4
End of RUN, master time 104.628788948059 sec, Eval/s
18543.9019175037
CG processor 0 is finishing work.
CG processor 2 is finishing work.
CG processor 3 is finishing work.
CG processor 1 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 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
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
