Sunday, September 22 2024 09:47:48
UNRES
236.82s
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 Inside initializeInside initializeInside initialize 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 MPI: node= 0 iseed= -3059742 MPI: node= 1 iseed= -6119485 MPI: node= 2 iseed= -9179228 indpdb= 0 pdbref= F 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 Call Read_Bridge. ns= 0 Processor 2 0 0 ivec_start 1 ivec_end 21 Processor 0 0 0 ivec_start 1 ivec_end 21 MPI: node= 3 iseed= -12238971 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 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 1481079723.5761781 End of minim, proc 2 time 1481079723.5762110 End of cycle, master time for 22 iters 48.207209110260010 sec, Eval/s 8552.8286662885839 End of minim, proc 3 time 1481079723.5915251 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 End of minim, proc 1 time 1481079759.9916420 End of cycle, master time for 13 iters 31.077726125717163 sec, Eval/s 8049.9454492900704 End of minim, proc 2 time 1481079759.9916749 End of minim, proc 3 time 1481079759.9917419 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 End of minim, proc 1 time 1481079819.0620060 End of minim, proc 2 time 1481079819.0620430 End of cycle, master time for 24 iters 53.413465023040771 sec, Eval/s 8336.4934255420576 End of minim, proc 3 time 1481079819.0620630 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 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 1481079906.7356961 End of minim, proc 1 time 1481079906.7357271 End of cycle, master time for 35 iters 82.321130990982056 sec, Eval/s 7887.8653898855246 End of minim, proc 2 time 1481079906.7357819 UPDATING 3 4 End of RUN, master time 231.45429611206055 sec, Eval/s 8171.9805238967929 CG processor 0 is finishing work. CG processor 1 is finishing work. CG processor 2 is finishing work. CG processor 3 is finishing work. STOP Bye Bye... STOP STOP Bye ByeB... ye Bye... STOP Bye Bye... Emin= -200.00049 Emin= -200.00049 Emin= -200.00049 difference .13437 from reference emin -200.13486 difference .13437 from reference emin -200.13486 difference .13437 from reference emin -200.13486 1l2y_csa_local_4P@001.pdb:REMARK GM 1 e 3842 m 1 rms 2.29 %NC 46.7 ENERGY -1.79212E+02 1l2y_csa_local_4P@002.pdb:REMARK GM 2 e 5084 m 2 rms 2.34 %NC 46.7 ENERGY -1.88494E+02 1l2y_csa_local_4P@003.pdb:REMARK GM 3 e 13338 m 5 rms 2.33 %NC 46.7 ENERGY -1.88495E+02 1l2y_csa_local_4P@004.pdb:REMARK GM 4 e 46970 m 15 rms 2.33 %NC 46.7 ENERGY -1.92792E+02 1l2y_csa_local_4P@005.pdb:REMARK GM 5 e 59416 m 41 rms 2.33 %NC 46.7 ENERGY -1.92796E+02 1l2y_csa_local_4P@006.pdb:REMARK GM 6 e 59539 m 42 rms 2.33 %NC 46.7 ENERGY -1.92797E+02 1l2y_csa_local_4P@007.pdb:REMARK GM 7 e 111923 m 189 rms 2.33 %NC 46.7 ENERGY -1.92797E+02 1l2y_csa_local_4P@008.pdb:REMARK GM 8 e 138913 m 270 rms 3.49 %NC 46.7 ENERGY -1.94489E+02 1l2y_csa_local_4P@009.pdb:REMARK GM 9 e 141605 m 279 rms 3.45 %NC 46.7 ENERGY -1.94848E+02 1l2y_csa_local_4P@010.pdb:REMARK GM 10 e 152586 m 324 rms 3.03 %NC 46.7 ENERGY -1.96372E+02 1l2y_csa_local_4P@011.pdb:REMARK GM 11 e 159595 m 346 rms 2.40 %NC 46.7 ENERGY -1.96402E+02 1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 171022 m 390 rms 2.40 %NC 46.7 ENERGY -1.96403E+02 1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 172277 m 393 rms 2.66 %NC 46.7 ENERGY -1.96478E+02 1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 176374 m 404 rms 2.41 %NC 46.7 ENERGY -1.96677E+02 1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 183919 m 426 rms 3.18 %NC 46.7 ENERGY -1.98555E+02 1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 205857 m 502 rms 3.18 %NC 46.7 ENERGY -1.98555E+02 1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 211005 m 527 rms 2.13 %NC 53.3 ENERGY -1.99552E+02 1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 213983 m 538 rms 3.32 %NC 46.7 ENERGY -1.99796E+02 1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 217824 m 548 rms 3.33 %NC 46.7 ENERGY -1.99990E+02 1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 241645 m 649 rms 3.33 %NC 46.7 ENERGY -1.99990E+02 1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 340484 m 1026 rms 3.33 %NC 46.7 ENERGY -1.99990E+02 1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 545196 m 1509 rms 3.33 %NC 46.7 ENERGY -1.99990E+02 1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 557805 m 1544 rms 3.32 %NC 46.7 ENERGY -1.99990E+02 1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 581593 m 1632 rms 3.32 %NC 46.7 ENERGY -1.99990E+02 1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 599494 m 1695 rms 3.32 %NC 46.7 ENERGY -1.99990E+02 1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 1523237 m 4043 rms 3.27 %NC 46.7 ENERGY -1.99999E+02 1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 1906288 m 5012 rms 3.28 %NC 46.7 ENERGY -2.00000E+02 1l2y_csa_local_4P@001.pdb:REMARK GM 1 e 3842 m 1 rms 2.29 %NC 46.7 ENERGY -1.79212E+02 1l2y_csa_local_4P@002.pdb:REMARK GM 2 e 5084 m 2 rms 2.34 %NC 46.7 ENERGY -1.88494E+02 1l2y_csa_local_4P@003.pdb:REMARK GM 3 e 13338 m 5 rms 2.33 %NC 46.7 ENERGY -1.88495E+02 1l2y_csa_local_4P@004.pdb:REMARK GM 4 e 46970 m 15 rms 2.33 %NC 46.7 ENERGY -1.92792E+02 1l2y_csa_local_4P@005.pdb:REMARK GM 5 e 59416 m 41 rms 2.33 %NC 46.7 ENERGY -1.92796E+02 1l2y_csa_local_4P@006.pdb:REMARK GM 6 e 59539 m 42 rms 2.33 %NC 46.7 ENERGY -1.92797E+02 1l2y_csa_local_4P@007.pdb:REMARK GM 7 e 111923 m 189 rms 2.33 %NC 46.7 ENERGY -1.92797E+02 1l2y_csa_local_4P@008.pdb:REMARK GM 8 e 138913 m 270 rms 3.49 %NC 46.7 ENERGY -1.94489E+02 1l2y_csa_local_4P@009.pdb:REMARK GM 9 e 141605 m 279 rms 3.45 %NC 46.7 ENERGY -1.94848E+02 1l2y_csa_local_4P@010.pdb:REMARK GM 10 e 152586 m 324 rms 3.03 %NC 46.7 ENERGY -1.96372E+02 1l2y_csa_local_4P@011.pdb:REMARK GM 11 e 159595 m 346 rms 2.40 %NC 46.7 ENERGY -1.96402E+02 1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 171022 m 390 rms 2.40 %NC 46.7 ENERGY -1.96403E+02 1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 172277 m 393 rms 2.66 %NC 46.7 ENERGY -1.96478E+02 1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 176374 m 404 rms 2.41 %NC 46.7 ENERGY -1.96677E+02 1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 183919 m 426 rms 3.18 %NC 46.7 ENERGY -1.98555E+02 1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 205857 m 502 rms 3.18 %NC 46.7 ENERGY -1.98555E+02 1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 211005 m 527 rms 2.13 %NC 53.3 ENERGY -1.99552E+02 1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 213983 m 538 rms 3.32 %NC 46.7 ENERGY -1.99796E+02 1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 217824 m 548 rms 3.33 %NC 46.7 ENERGY -1.99990E+02 1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 241645 m 649 rms 3.33 %NC 46.7 ENERGY -1.99990E+02 1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 340484 m 1026 rms 3.33 %NC 46.7 ENERGY -1.99990E+02 1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 545196 m 1509 rms 3.33 %NC 46.7 ENERGY -1.99990E+02 1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 557805 m 1544 rms 3.32 %NC 46.7 ENERGY -1.99990E+02 1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 581593 m 1632 rms 3.32 %NC 46.7 ENERGY -1.99990E+02 1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 599494 m 1695 rms 3.32 %NC 46.7 ENERGY -1.99990E+02 1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 1523237 m 4043 rms 3.27 %NC 46.7 ENERGY -1.99999E+02 1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 1906288 m 5012 rms 3.28 %NC 46.7 ENERGY -2.00000E+02 1l2y_csa_local_4P@001.pdb:REMARK GM 1 e 3842 m 1 rms 2.29 %NC 46.7 ENERGY -1.79212E+02 1l2y_csa_local_4P@002.pdb:REMARK GM 2 e 5084 m 2 rms 2.34 %NC 46.7 ENERGY -1.88494E+02 1l2y_csa_local_4P@003.pdb:REMARK GM 3 e 13338 m 5 rms 2.33 %NC 46.7 ENERGY -1.88495E+02 1l2y_csa_local_4P@004.pdb:REMARK GM 4 e 46970 m 15 rms 2.33 %NC 46.7 ENERGY -1.92792E+02 1l2y_csa_local_4P@005.pdb:REMARK GM 5 e 59416 m 41 rms 2.33 %NC 46.7 ENERGY -1.92796E+02 1l2y_csa_local_4P@006.pdb:REMARK GM 6 e 59539 m 42 rms 2.33 %NC 46.7 ENERGY -1.92797E+02 1l2y_csa_local_4P@007.pdb:REMARK GM 7 e 111923 m 189 rms 2.33 %NC 46.7 ENERGY -1.92797E+02 1l2y_csa_local_4P@008.pdb:REMARK GM 8 e 138913 m 270 rms 3.49 %NC 46.7 ENERGY -1.94489E+02 1l2y_csa_local_4P@009.pdb:REMARK GM 9 e 141605 m 279 rms 3.45 %NC 46.7 ENERGY -1.94848E+02 1l2y_csa_local_4P@010.pdb:REMARK GM 10 e 152586 m 324 rms 3.03 %NC 46.7 ENERGY -1.96372E+02 1l2y_csa_local_4P@011.pdb:REMARK GM 11 e 159595 m 346 rms 2.40 %NC 46.7 ENERGY -1.96402E+02 1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 171022 m 390 rms 2.40 %NC 46.7 ENERGY -1.96403E+02 1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 172277 m 393 rms 2.66 %NC 46.7 ENERGY -1.96478E+02 1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 176374 m 404 rms 2.41 %NC 46.7 ENERGY -1.96677E+02 1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 183919 m 426 rms 3.18 %NC 46.7 ENERGY -1.98555E+02 1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 205857 m 502 rms 3.18 %NC 46.7 ENERGY -1.98555E+02 1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 211005 m 527 rms 2.13 %NC 53.3 ENERGY -1.99552E+02 1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 213983 m 538 rms 3.32 %NC 46.7 ENERGY -1.99796E+02 1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 217824 m 548 rms 3.33 %NC 46.7 ENERGY -1.99990E+02 1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 241645 m 649 rms 3.33 %NC 46.7 ENERGY -1.99990E+02 1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 340484 m 1026 rms 3.33 %NC 46.7 ENERGY -1.99990E+02 1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 545196 m 1509 rms 3.33 %NC 46.7 ENERGY -1.99990E+02 1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 557805 m 1544 rms 3.32 %NC 46.7 ENERGY -1.99990E+02 1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 581593 m 1632 rms 3.32 %NC 46.7 ENERGY -1.99990E+02 1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 599494 m 1695 rms 3.32 %NC 46.7 ENERGY -1.99990E+02 1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 1523237 m 4043 rms 3.27 %NC 46.7 ENERGY -1.99999E+02 1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 1906288 m 5012 rms 3.28 %NC 46.7 ENERGY -2.00000E+02 Emin= -200.00049 difference .13437 from reference emin -200.13486 1l2y_csa_local_4P@001.pdb:REMARK GM 1 e 3842 m 1 rms 2.29 %NC 46.7 ENERGY -1.79212E+02 1l2y_csa_local_4P@002.pdb:REMARK GM 2 e 5084 m 2 rms 2.34 %NC 46.7 ENERGY -1.88494E+02 1l2y_csa_local_4P@003.pdb:REMARK GM 3 e 13338 m 5 rms 2.33 %NC 46.7 ENERGY -1.88495E+02 1l2y_csa_local_4P@004.pdb:REMARK GM 4 e 46970 m 15 rms 2.33 %NC 46.7 ENERGY -1.92792E+02 1l2y_csa_local_4P@005.pdb:REMARK GM 5 e 59416 m 41 rms 2.33 %NC 46.7 ENERGY -1.92796E+02 1l2y_csa_local_4P@006.pdb:REMARK GM 6 e 59539 m 42 rms 2.33 %NC 46.7 ENERGY -1.92797E+02 1l2y_csa_local_4P@007.pdb:REMARK GM 7 e 111923 m 189 rms 2.33 %NC 46.7 ENERGY -1.92797E+02 1l2y_csa_local_4P@008.pdb:REMARK GM 8 e 138913 m 270 rms 3.49 %NC 46.7 ENERGY -1.94489E+02 1l2y_csa_local_4P@009.pdb:REMARK GM 9 e 141605 m 279 rms 3.45 %NC 46.7 ENERGY -1.94848E+02 1l2y_csa_local_4P@010.pdb:REMARK GM 10 e 152586 m 324 rms 3.03 %NC 46.7 ENERGY -1.96372E+02 1l2y_csa_local_4P@011.pdb:REMARK GM 11 e 159595 m 346 rms 2.40 %NC 46.7 ENERGY -1.96402E+02 1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 171022 m 390 rms 2.40 %NC 46.7 ENERGY -1.96403E+02 1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 172277 m 393 rms 2.66 %NC 46.7 ENERGY -1.96478E+02 1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 176374 m 404 rms 2.41 %NC 46.7 ENERGY -1.96677E+02 1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 183919 m 426 rms 3.18 %NC 46.7 ENERGY -1.98555E+02 1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 205857 m 502 rms 3.18 %NC 46.7 ENERGY -1.98555E+02 1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 211005 m 527 rms 2.13 %NC 53.3 ENERGY -1.99552E+02 1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 213983 m 538 rms 3.32 %NC 46.7 ENERGY -1.99796E+02 1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 217824 m 548 rms 3.33 %NC 46.7 ENERGY -1.99990E+02 1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 241645 m 649 rms 3.33 %NC 46.7 ENERGY -1.99990E+02 1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 340484 m 1026 rms 3.33 %NC 46.7 ENERGY -1.99990E+02 1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 545196 m 1509 rms 3.33 %NC 46.7 ENERGY -1.99990E+02 1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 557805 m 1544 rms 3.32 %NC 46.7 ENERGY -1.99990E+02 1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 581593 m 1632 rms 3.32 %NC 46.7 ENERGY -1.99990E+02 1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 599494 m 1695 rms 3.32 %NC 46.7 ENERGY -1.99990E+02 1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 1523237 m 4043 rms 3.27 %NC 46.7 ENERGY -1.99999E+02 1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 1906288 m 5012 rms 3.28 %NC 46.7 ENERGY -2.00000E+02
