13.10s
Test: UNRES_M_CHECKGRAD_homology
(Failed)
Build: devel Linux-gfortan-MPI-DFA E0LL2Y
(m10)
on 2020-03-22 02:57:37
Repository revision: b0b2c84acad12a1d979380324a23283282aaa48a
Show Command Line/bin/sh "/tmp/cdash/devel/build/source/unres/src_MD-M-SAXS-homology/test_mpi_E0LL2Y.sh" "Ts866_checkgrad_full" "2" "2"
Show Test Time Graph
Show Failing/Passing Graph
Test outputCTEST_FULL_OUTPUT
Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_DIVIDE_BY_ZERO IEEE_DENORMAL
STOP Bye Bye...
Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_DIVIDE_BY_ZERO IEEE_OVERFLOW_FLAG IEEE_DENORMAL
STOP Bye Bye...
2
2
indpdb= 57 pdbref= T
ns= 0
Call Read_Bridge.
ns= 0
ATU 3
Calling CHECK_ECARTINT 1.000D-04
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Total wall clock time 12.962388038635254 sec
Processor 0 BROADCAST time 5.7623386383056641E-003 REDUCE time 4.5294761657714844E-003 GATHER time 0.0000000000000000 SCATTER time 0.0000000000000000 SENDRECV 0.0000000000000000 BARRIER ene 2.0532369613647461E-002 BARRIER grad 1.1920928955078125E-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 ] 7.8678131103515625E-004 order[ 1 ] 6.0134700169990685E-154 order[ 2 ] 6.0134700169990685E-154 order[ 3 ] 6.0134700169990685E-154 order[ 4 ] 6.0134700169990685E-154 order[ 5 ] 1.1580096579699206E-310 order[ 6 ] 6.0134700169990685E-154 order[ 7 ] 1.0210752487182617E-002 order[ 8 ] 4.9406564584124654E-324 order[ 9 ] 1.1580096580304436E-310 order[ 10 ] 4.6891194007368279E-310
Largest abs(1-numerical/analytical)= 1
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1101 0.00000E+00
ETOT= 999999999999999967336168804116691273849533185806555472917961779471295845921727862608739868455469056 reference= 3124.502
difference 99999999999999996733616880411669127384953318580655547291796177947129\ 5845921727862608739868455465931.498 from reference etot 3124.502 greater than 0.01
H_CONS= 1872.98 reference= 1872.981
ERROR largest abs(1-numerical/analytical) 1.0000000000
greater than 0.0020