On Thu, Jul 01, 2010, Yu Chen wrote:
>
> Sorry for the misunderstanding. I DO compiled MPICH2 myself, the
> gcc/gfortran package is downloaded from hpc.sf.net, although I could
> have done if from Macports too (maybe try it next).
This is a little confusing, since you mentioned openmpi(?) in the previous
email. We also don't know what flags you used to compile the MPI.
>
> The passing flags do remind me that I didn't pass the no_underscoring to
> Amber, so I just tried that (I put the no_underscoring in config.h on
> FFLAGS ... line), but it seems the compiler didn't pick it up, the flag
> still not included when compiling. I did the ./configure -mpi gnu first,
> then edit the config.h file, then make clean ; make parallel.
It's not clear exactly what you did to config.h, whether you are literally
using "no_underscoring" (which is not correct), etc.
I still recommend using the configure_openmpi script. There should be no
need to manually edit the config.h file.
...dac
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Received on Thu Jul 01 2010 - 10:00:03 PDT
