Dear Prof. David Case,
thank you. But what about bug fixes? For instance, I have
just "cvs update -d"-ed my amber10 tree and compiled it with
'ifort -C -traceback'. I then went to run tests in the
test/softcore directory (a popular choice); this is what
I am getting:
==============================================================
Restrained complex test
Running multisander version of sander amber10
Total processors = 4
Number of groups = 2
forrtl: severe (408): fort: (3): Subscript #1 of the array NAME has value
0 which is less than the lower bound of 1
Image PC Routine Line Source
sander.MPI 00000000019B644F Unknown Unknown Unknown
sander.MPI 00000000019B492E Unknown Unknown Unknown
sander.MPI 0000000001989272 Unknown Unknown Unknown
sander.MPI 000000000194877E Unknown Unknown Unknown
sander.MPI 00000000019489C2 Unknown Unknown Unknown
sander.MPI 00000000006FC0A9 nmr_mp_nmrred_ 6202 _nmr.f
sander.MPI 000000000079A876 nmrcal_ 930 _nmrcal.f
sander.MPI 0000000000748151 sander_ 1362 _sander.f
sander.MPI 0000000000744ADC MAIN__ 870
_multisander.f
sander.MPI 00000000004040EA Unknown Unknown Unknown
libc.so.6 00002AB330B7CB74 Unknown Unknown Unknown
sander.MPI 0000000000404029 Unknown Unknown Unknown
./Run.complex_rst: Program error
(line #6202 in _nmr.f corresponds to 5438 in nmr.f).
[I should have posted this to the list, but afraid to insult someone there]
Have a great day,
Volodymyr
Received on Fri Apr 18 2008 - 21:19:52 PDT
