Thursday, July 04 2024 21:44:23
UNRES
11.37s| Exit Value | 1 |
|---|---|
| Processors | [Graph]1 |
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CTEST_FULL_OUTPUT
Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_DIVIDE_BY_ZERO IEEE_OVERFLOW_FLAG IEEE_DENORMAL
STOP Bye Bye...
Note: The following floating-point exceptions are signalling: IEEE_DIVIDE_BY_ZERO IEEE_DENORMAL
STOP Bye Bye...
2
2
indpdb= 57 pdbref= T
Call Read_Bridge.
ns= 0
ns= 0
ATU 3
Calling CHECK_ECARTINT 1.000D-07
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Total wall clock time 11.282842874526978 sec
Processor 0 BROADCAST time 5.0847530364990234E-003 REDUCE time 4.0304660797119141E-003 GATHER time 0.0000000000000000 SCATTER time 0.0000000000000000 SENDRECV 0.0000000000000000 BARRIER ene 7.3528289794921875E-003 BARRIER grad 4.0531158447265625E-006
CG processor 0 is finishing work.
Processor 1 CG group 0 absolute rank 1 leves ERGASTULUM.
Processor 1 wait times for respective orders order[ 0 ] 5.6405067443847656E-003 order[ 1 ] 6.0134700169990685E-154 order[ 2 ] 6.0134700169990685E-154 order[ 3 ] 6.0134700169990685E-154 order[ 4 ] 6.0134700169990685E-154 order[ 5 ] 1.1221291093658815E-310 order[ 6 ] 6.0134700169990685E-154 order[ 7 ] 9.3042850494384766E-003 order[ 8 ] 4.9406564584124654E-324 order[ 9 ] 1.1221291094264045E-310 order[ 10 ] 4.6559299917155728E-310
./prota_unres_energy_check_mult.sh: line 223: gawk: command not found
./prota_unres_energy_check_mult.sh: line 224: gawk: command not found
ETOT= 3124.5 reference= 3124.347
difference .153 from reference etot 3124.347 greater than 0.01
H_CONS= 1872.98 reference= 1872.981
(standard_in) 1: syntax error
./prota_unres_energy_check_mult.sh: line 246: [: !=: unary operator expected
