Wednesday, September 25 2024 07:23:34
UNRES
239.13s
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CTEST_FULL_OUTPUT CTEST_FULL_OUTPUT CTEST_FULL_OUTPUT CTEST_FULL_OUTPUT 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 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 initializeInside 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 initializeInside initialize MPI: node= 2 iseed= -9179228 MPI: node= 3 iseed= -12238971 MPI: node= 1 iseed= -6119485 MPI: node= 0 iseed= -3059742 indpdb= 0 pdbref= F Call Read_Bridge. ns= 0 indpdb= 0 pdbref= F Call Read_Bridge. Processor 2 0 0 ivec_start 1 ivec_end 21 ns= 0 Processor 3 0 0 ivec_start 1 ivec_end 21 indpdb= 0 pdbref= F Call Read_Bridge. ns= 0 Processor 1 0 0 ivec_start 1 ivec_end 21 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 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 1477881303.6699760 End of minim, proc 3 time 1477881303.6700029 End of cycle, master time for 25 iters 55.354439973831177 sec, Eval/s 8557.0371631241796 End of minim, proc 1 time 1477881303.6700301 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 End of minim, proc 2 time 1477881377.0032070 End of minim, proc 3 time 1477881377.0032411 End of cycle, master time for 31 iters 68.734185934066772 sec, Eval/s 8458.5274721620772 End of minim, proc 1 time 1477881377.0032640 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 End of minim, proc 3 time 1477881402.8449509 End of minim, proc 1 time 1477881402.8449960 End of cycle, master time for 8 iters 19.584975004196167 sec, Eval/s 8270.9321796578133 End of minim, proc 2 time 1477881402.8450160 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 End of minim, proc 3 time 1477881482.0058689 End of minim, proc 1 time 1477881482.0058990 End of minim, proc 2 time 1477881482.0059221 End of cycle, master time for 32 iters 73.704955101013184 sec, Eval/s 8193.8588684073165 UPDATING 3 4 End of RUN, master time 233.80364799499512 sec, Eval/s 8363.0559949255203 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 STOP Bye Bye... STOP Bye Bye... Bye Bye... STOP Bye Bye... Emin= -200.13484 Emin= -200.13484 Emin= -200.13484 difference .00002 from reference emin -200.13486 difference .00002 from reference emin -200.13486 difference .00002 from reference emin -200.13486 Emin= -200.13484 1l2y_csa_local_4P@001.pdb:REMARK GM 1 e 3236 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 59346 m 41 rms 2.33 %NC 46.7 ENERGY -1.92797E+02 1l2y_csa_local_4P@006.pdb:REMARK GM 6 e 112091 m 190 rms 2.33 %NC 46.7 ENERGY -1.92797E+02 1l2y_csa_local_4P@007.pdb:REMARK GM 7 e 139096 m 270 rms 3.49 %NC 46.7 ENERGY -1.94489E+02 1l2y_csa_local_4P@008.pdb:REMARK GM 8 e 141975 m 279 rms 3.45 %NC 46.7 ENERGY -1.94848E+02 1l2y_csa_local_4P@009.pdb:REMARK GM 9 e 152560 m 324 rms 3.03 %NC 46.7 ENERGY -1.96372E+02 1l2y_csa_local_4P@010.pdb:REMARK GM 10 e 168893 m 386 rms 3.02 %NC 46.7 ENERGY -1.96372E+02 1l2y_csa_local_4P@011.pdb:REMARK GM 11 e 182399 m 428 rms 3.23 %NC 46.7 ENERGY -1.98363E+02 1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 192161 m 464 rms 3.44 %NC 46.7 ENERGY -1.99818E+02 1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 221308 m 560 rms 3.44 %NC 46.7 ENERGY -1.99819E+02 1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 223347 m 572 rms 3.45 %NC 46.7 ENERGY -1.99819E+02 1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 263552 m 724 rms 3.39 %NC 46.7 ENERGY -2.00134E+02 1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 287650 m 807 rms 3.38 %NC 46.7 ENERGY -2.00135E+02 1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 312935 m 901 rms 3.38 %NC 46.7 ENERGY -2.00135E+02 1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 332160 m 975 rms 3.38 %NC 46.7 ENERGY -2.00135E+02 1l2y_csa_local_4P@001.pdb:REMARK GM 1 e 3236 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 59346 m 41 rms 2.33 %NC 46.7 ENERGY -1.92797E+02 1l2y_csa_local_4P@006.pdb:REMARK GM 6 e 112091 m 190 rms 2.33 %NC 46.7 ENERGY -1.92797E+02 1l2y_csa_local_4P@007.pdb:REMARK GM 7 e 139096 m 270 rms 3.49 %NC 46.7 ENERGY -1.94489E+02 1l2y_csa_local_4P@008.pdb:REMARK GM 8 e 141975 m 279 rms 3.45 %NC 46.7 ENERGY -1.94848E+02 1l2y_csa_local_4P@009.pdb:REMARK GM 9 e 152560 m 324 rms 3.03 %NC 46.7 ENERGY -1.96372E+02 1l2y_csa_local_4P@010.pdb:REMARK GM 10 e 168893 m 386 rms 3.02 %NC 46.7 ENERGY -1.96372E+02 1l2y_csa_local_4P@011.pdb:REMARK GM 11 e 182399 m 428 rms 3.23 %NC 46.7 ENERGY -1.98363E+02 1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 192161 m 464 rms 3.44 %NC 46.7 ENERGY -1.99818E+02 1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 221308 m 560 rms 3.44 %NC 46.7 ENERGY -1.99819E+02 1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 223347 m 572 rms 3.45 %NC 46.7 ENERGY -1.99819E+02 1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 263552 m 724 rms 3.39 %NC 46.7 ENERGY -2.00134E+02 1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 287650 m 807 rms 3.38 %NC 46.7 ENERGY -2.00135E+02 1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 312935 m 901 rms 3.38 %NC 46.7 ENERGY -2.00135E+02 1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 332160 m 975 rms 3.38 %NC 46.7 ENERGY -2.00135E+02 1l2y_csa_local_4P@001.pdb:REMARK GM 1 e 3236 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 59346 m 41 rms 2.33 %NC 46.7 ENERGY -1.92797E+02 1l2y_csa_local_4P@006.pdb:REMARK GM 6 e 112091 m 190 rms 2.33 %NC 46.7 ENERGY -1.92797E+02 1l2y_csa_local_4P@007.pdb:REMARK GM 7 e 139096 m 270 rms 3.49 %NC 46.7 ENERGY -1.94489E+02 1l2y_csa_local_4P@008.pdb:REMARK GM 8 e 141975 m 279 rms 3.45 %NC 46.7 ENERGY -1.94848E+02 1l2y_csa_local_4P@009.pdb:REMARK GM 9 e 152560 m 324 rms 3.03 %NC 46.7 ENERGY -1.96372E+02 1l2y_csa_local_4P@010.pdb:REMARK GM 10 e 168893 m 386 rms 3.02 %NC 46.7 ENERGY -1.96372E+02 1l2y_csa_local_4P@011.pdb:REMARK GM 11 e 182399 m 428 rms 3.23 %NC 46.7 ENERGY -1.98363E+02 1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 192161 m 464 rms 3.44 %NC 46.7 ENERGY -1.99818E+02 1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 221308 m 560 rms 3.44 %NC 46.7 ENERGY -1.99819E+02 1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 223347 m 572 rms 3.45 %NC 46.7 ENERGY -1.99819E+02 1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 263552 m 724 rms 3.39 %NC 46.7 ENERGY -2.00134E+02 1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 287650 m 807 rms 3.38 %NC 46.7 ENERGY -2.00135E+02 1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 312935 m 901 rms 3.38 %NC 46.7 ENERGY -2.00135E+02 1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 332160 m 975 rms 3.38 %NC 46.7 ENERGY -2.00135E+02 difference .00002 from reference emin -200.13486 1l2y_csa_local_4P@001.pdb:REMARK GM 1 e 3236 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 59346 m 41 rms 2.33 %NC 46.7 ENERGY -1.92797E+02 1l2y_csa_local_4P@006.pdb:REMARK GM 6 e 112091 m 190 rms 2.33 %NC 46.7 ENERGY -1.92797E+02 1l2y_csa_local_4P@007.pdb:REMARK GM 7 e 139096 m 270 rms 3.49 %NC 46.7 ENERGY -1.94489E+02 1l2y_csa_local_4P@008.pdb:REMARK GM 8 e 141975 m 279 rms 3.45 %NC 46.7 ENERGY -1.94848E+02 1l2y_csa_local_4P@009.pdb:REMARK GM 9 e 152560 m 324 rms 3.03 %NC 46.7 ENERGY -1.96372E+02 1l2y_csa_local_4P@010.pdb:REMARK GM 10 e 168893 m 386 rms 3.02 %NC 46.7 ENERGY -1.96372E+02 1l2y_csa_local_4P@011.pdb:REMARK GM 11 e 182399 m 428 rms 3.23 %NC 46.7 ENERGY -1.98363E+02 1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 192161 m 464 rms 3.44 %NC 46.7 ENERGY -1.99818E+02 1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 221308 m 560 rms 3.44 %NC 46.7 ENERGY -1.99819E+02 1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 223347 m 572 rms 3.45 %NC 46.7 ENERGY -1.99819E+02 1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 263552 m 724 rms 3.39 %NC 46.7 ENERGY -2.00134E+02 1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 287650 m 807 rms 3.38 %NC 46.7 ENERGY -2.00135E+02 1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 312935 m 901 rms 3.38 %NC 46.7 ENERGY -2.00135E+02 1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 332160 m 975 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
