On Fri, Jul 12, 2013, Marc van der Kamp wrote:
>
> On a (linux) system where I previously successfully compiled
> pmemd.cuda_SPFP (from amber12), I cannot re-compile it (after
> updates).
> I'm using cuda-4.2.9 (this is for Tesla M2090's).
>
> "configure -cuda gnu" is successful, but when I "make install", I'm
> running into the following error:
>
> gfortran -DBINTRAJ -DDIRFRC_EFS -DDIRFRC_COMTRANS -DDIRFRC_NOVEC
> -DFFTLOADBAL_2PROC -DPUBFFT -O3 -DCUDA -Duse_SPFP
> -I/gpfs/cluster/chem/chmwvdk/amber12/include -c binrestart.F90
> Fatal Error: Reading module netcdf at line 23 column 34: Expected integer
It sounds like the netcdf module was earlier compiled with a different
compiler (or different compiler version). In any event, remove
$AMBERHOME/include/netcdf.mod, than try the compilation again.
[Developers, esp. Jason: is there any reason that "make clean" (run
automagically by configure) should not be doing this?]
...hope this helps...dac
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Received on Fri Jul 12 2013 - 06:30:02 PDT
