0.01s
Test: XDRF2PDB-three
(Passed)
Build: Linux-ifort-noMPI E0LL2Y
(dell15)
on 2024-05-16 03:08:13
Show Command Line/tmp/cdash/build/bin/xdrf2pdb "three" "ala10three.seq" "ala10MD.cx"
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Test output nnt 2 nct 11
file
ala10MD.cx
iret 1
is 1 ie 1000000000
time 89.66093 iret 1
potE -8.835434 uconst 0.0000000E+00
uconst_back 6.952507009518618E-310
t_bath 300.0000
nss 0
nfrag 0
time 167.9078 iret 1
potE -6.943595 uconst 0.0000000E+00
uconst_back 6.952507009518618E-310
t_bath 300.0000
nss 0
nfrag 0
time 246.4109 iret 1
potE 1.056895 uconst 0.0000000E+00
uconst_back 6.952507009518618E-310
t_bath 300.0000
nss 0
nfrag 0
time 314.4875 iret 1
potE -2.465916 uconst 0.0000000E+00
uconst_back 6.952507009518618E-310
t_bath 300.0000
nss 0
nfrag 0
time 387.4813 iret 1
potE -6.699165 uconst 0.0000000E+00
uconst_back 6.952507009518618...
The rest of the test output was removed since it exceeds the threshold of 1024 bytes.