Re: [AMBER] AMBER Digest, Vol 2280, Issue 1

From: Kadir Ozcan <>
Date: Thu, 3 May 2018 22:19:23 +0000

Hello David I tried what you suggested below:

Your error is in building the cuda version of cpptraj, and you would
have to also modify the config.h in $AMBERHOME/AmberTools/src/cpptraj.

However, since you want pmemd.cuda, cd to $AMBERHOME/src/pmemd, and type

  make cuda_serial

That will pick up your modified config.h info, and might get one step
closer to resolution.

And this is the result:

./gputypes.h:19:10: fatal error: 'cuda.h' file not found
#include <cuda.h>
1 error generated.
make[3]: *** [gpu.o] Error 1
make[2]: *** [cuda_spfp_libs] Error 2
make[1]: *** [cuda_SPFP] Error 2
make: *** [cuda_serial] Error 2

Thanks in advance.

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Received on Thu May 03 2018 - 15:30:03 PDT
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