0.02s
Test: XDRF2PDB-M-one
(Passed)
Build: homology Linux-gfortan-MPI E0LL2Y
(m10)
on 2024-11-05 03:27:06
Show Command Line/tmp/cdash/homology/build/bin/xdrf2pdb-m "one" "1L2Yone.seq" "1L2Y_MREMD_MD000.cx" "32" "30"
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Test output nnt 1 nct 1
time 2000.00000 iret 1
potE -26.8822079 uconst 0.00000000 t_bath 2.00000000
nss 0
nfrag 0 iset 0
call xdrf3coord
isize 42
time 2000.00000 iret 1
potE -26.8660469 uconst 0.00000000 t_bath 2.00000000
nss 0
nfrag 0 iset 0
call xdrf3coord
isize 42
time 2000.00000 iret 1
potE -26.8413792 uconst 0.00000000 t_bath 2.00000000
nss 0
nfrag 0 iset 0
call xdrf3coord
isize 42
time 2000.00000 iret 1
potE -26.8460674 uconst 0.00000000 t_bath 2.00000000
nss 0
nfrag 0 iset 0
call xdrf3coord
isize 42
time 2000.00000 iret 1
potE -26.9086971 uconst 0.00000000 t_bath 2.00000000
nss 0
nfrag 0...
The rest of the test output was removed since it exceeds the threshold of 1024 bytes.