Re: [AMBER] problem (re)compiling pmemd.cuda_SPFP: Reading module netcdf at line 23 column 34: Expected integer

From: Wang Chern Hoe (Dr) <"Wang>
Date: Fri, 12 Jul 2013 21:05:14 +0800

I have tried "make clean" many times. It does not work.

Only "make uninstall" worked for me.


On 12 Jul, 2013, at 9:02 PM, David A Case <case.biomaps.rutgers.edu> wrote:

> 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 - 06:30:03 PDT
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