CDash : UNRES

1.17s

Test: UNRES_ss_static_min (Passed)
Build: Linux-pgi-MPI-E0LL2Y (dell15) on 2017-09-28 22:51:19
Repository revision: cfd3f3ea9ccac7a6b9cb0e802b4c9e5927a506f6

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Test output

CTEST_FULL_OUTPUT
Warning: ieee_invalid is signaling
Warning: ieee_divide_by_zero is signaling
Warning: ieee_overflow is signaling
Warning: ieee_inexact is signaling
********** Program terminated normally.
Inside initialize thetname_pdb 
 /tmp/cdash/source/PARAM/thetaml.5parm                                                                                                                                                                                                                           
           51  opened
 indpdb=           25  pdbref=  T
 Call Read_Bridge.
 ns=            4
Processor





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 after etotal
 Calling MINIM_DC
 check_ecart before sumsl
 check_ecart
 SUMSL return code is            8  eval          1076
 # eval/s    987.1559499425025     
 refstr=  T
initial energy=134.838 reference=134.8382
SUMSL return code 20
ERROR = SUMSL return code 20 is not 4
but not failing this test, it is known problem with dissulfides
OK: absdiff= 3.598500, ene= -147.723300