Execution Time5.99s

Test: WHAM_remd_dfa (Failed)
Build: homology Linux-pgi-MPI E0LL2Y (dell15) on 2018-03-21 04:30:27
Repository revision: 7ac1c2122427f6ab38e52d162dab17207f714e8e

Exit Value1

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Test output
CTEST_FULL_OUTPUT
--------------------------------------------------------------------------
The library attempted to open the following supporting CUDA libraries, 
but each of them failed.  CUDA-aware support is disabled.
libcuda.so.1: cannot open shared object file: No such file or directory
/usr/lib64/libcuda.so.1: cannot open shared object file: No such file or directory
If you are not interested in CUDA-aware support, then run with 
--mca mpi_cuda_support 0 to suppress this message.  If you are interested
in CUDA-aware support, then try setting LD_LIBRARY_PATH to the location
of libcuda.so.1 to get passed this issue.
--------------------------------------------------------------------------
 OpenUnits: processor            1
 OpenUnits: processor            0
 ns=            0
 ns=            0
 ishiftca=            1 ilastca=           76
 ishiftca=            1 ilastca=           76
 Calling cxread
 Calling cxread
[dell15:161681] 1 more process has sent help message help-mpi-common-cuda.txt / dlopen failed
[dell15:161681] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages
Warning: ieee_invalid is signaling
Warning: ieee_denorm is signaling
Warning: ieee_divide_by_zero is signaling
Warning: ieee_underflow is signaling
Warning: ieee_inexact is signaling
FORTRAN STOP
Warning: ieee_invalid is signaling
Warning: ieee_denorm is signaling
Warning: ieee_divide_by_zero is signaling
Warning: ieee_underflow is signaling
Warning: ieee_inexact is signaling
FORTRAN STOP
T of max Cv(T)  281.0
average rms for T<260  0
ERROR: energy differs remarkably from  the value read in
first 10 warnings
dfa_wham.out_GB000:Warning: energy differs remarkably from  the value read in:    -0.38625E+03   -0.40679E+03 point       1       1 T   280.0
dfa_wham.out_GB000:Warning: energy differs remarkably from  the value read in:    -0.55219E+03   -0.57785E+03 point       2       2 T   240.0
dfa_wham.out_GB000:Warning: energy differs remarkably from  the value read in:    -0.48788E+03   -0.51156E+03 point       3       3 T   260.0
dfa_wham.out_GB000:Warning: energy differs remarkably from  the value read in:    -0.39657E+03   -0.41691E+03 point       4       4 T   300.0
dfa_wham.out_GB000:Warning: energy differs remarkably from  the value read in:    -0.36592E+03   -0.38642E+03 point       5       5 T   360.0
dfa_wham.out_GB000:Warning: energy differs remarkably from  the value read in:    -0.48629E+03   -0.51335E+03 point       6       6 T   320.0
dfa_wham.out_GB000:Warning: energy differs remarkably from  the value read in:    -0.39820E+03   -0.42242E+03 point       7       7 T   340.0
dfa_wham.out_GB000:Warning: energy differs remarkably from  the value read in:    -0.31754E+03   -0.33698E+03 point       8       8 T   390.0
dfa_wham.out_GB000:Warning: energy differs remarkably from  the value read in:    -0.34657E+03   -0.36656E+03 point       9       9 T   340.0
dfa_wham.out_GB000:Warning: energy differs remarkably from  the value read in:    -0.54083E+03   -0.56591E+03 point      10      10 T   240.0
ERROR wrong T max of Cv(T) by more than 10 K