24.33s
Test: UNRES_M_CHECKGRAD_homology
(Failed)
Build: devel Linux-gfortan-MPI-DFA NEWCORR
(dell15)
on 2020-03-28 04:24:10
Repository revision: e03a9f80b12c006af17dcbe2d9a6a8c431db1dd1
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
STOP Bye Bye...
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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Processor 1 CG group 0 absolute rank 1 leves ERGASTULUM.
Total wall clock time 24.228041172027588 sec
Processor 1 wait times for respective orders order[ 0 ] 1.0852813720703125E-003 order[ 1 ] 6.0134700169990685E-154 order[ 2 ] 6.0134700169990685E-154 order[ 3 ] 6.0134700169990685E-154 order[ 4 ] 6.0134700169990685E-154 order[ 5 ] 6.0134700169990685E-154 order[ 6 ] 6.9532755023298313E-310 order[ 7 ] 8.7134838104248047E-003 order[ 8 ] 6.9532755023298313E-310 order[ 9 ] 2.3369351717957656E-310 order[ 10 ] 6.0134700169990685E-154
Processor 0 BROADCAST time 7.2889328002929688E-003 REDUCE time 5.6285858154296875E-003 GATHER time 0.0000000000000000 SCATTER time 0.0000000000000000 SENDRECV 0.0000000000000000 BARRIER ene 0.33945655822753906 BARRIER grad 9.5367431640625000E-007
CG processor 0 is finishing work.
Largest abs(1-numerical/analytical)= 1
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1101 0.00000E+00
ETOT= 999999999999999967336168804116691273849533185806555472917961779471295845921727862608739868455469056 reference= 3809.565
difference 99999999999999996733616880411669127384953318580655547291796177947129\ 5845921727862608739868455465246.435 from reference etot 3809.565 greater than 0.01
H_CONS= 1872.98 reference= 1872.981
ERROR largest abs(1-numerical/analytical) 1.0000000000
greater than 0.0020