Daniel Roe wrote:
>
> Out of curiosity does anyone know if this neb/vlimit stuff happens with the
> intel 11 compilers?
These specific tests all pass using a sander.MPI binary that has been
compiled with ifort 11.1.064 . I've not tested any other v11 ifort
compilers, hence I still stand by my conclusion that it is most likely a
compiler bug, given that these tests also pass with compiles using
gfortran 4.1.2, 4.4.3 and ifort 11.1.064 .
But if one wants to look closer at this, one thing that does show up
when compiling with ifort's runtime checking option ( see "FC=mpif90
-check all" in config.h) is the following:
[mjw:test]$ make test.neb
cd neb-testcases/neb_gb_partial && ./Run.neb_gb_partial
Running multisander version of sander Amber11
Total processors = 4
Number of groups = 4
forrtl: severe (408): fort: (3): Subscript #1 of the array NEB_NRG_ALL
has value 0 which is less than the lower bound of 1
forrtl: severe (408): fort: (3): Subscript #1 of the array NEB_NRG_ALL
has value 0 which is less than the lower bound of 1
forrtl: severe (408): fort: (3): Subscript #1 of the array NEB_NRG_ALL
has value 0 which is less than the lower bound of 1
forrtl: severe (408): fort: (3): Subscript #1 of the array NEB_NRG_ALL
has value 0 which is less than the lower bound of 1
rank 3 in job 28964 bunny.sdsc.edu_45545 caused collective abort of
all ranks
exit status of rank 3: return code 152
rank 0 in job 28964 bunny.sdsc.edu_45545 caused collective abort of
all ranks
exit status of rank 0: return code 152
program error.
make: *** [test.neb] Error 1
I've no idea if this has any relation to the "problem" being discussed,
but it might be nice to resolve it before the release.
regards,
Mark
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Received on Wed Mar 24 2010 - 19:00:02 PDT
