[AMBER] Unable to compile cuda version of amber14

From: Manikanthan Bhavaraju <manikanthanbhavaraju.gmail.com>
Date: Tue, 22 Jul 2014 14:45:48 -0500

Hi All,

I am trying to install and compile Amber14 and AmberTools14 on a
supercomputing cluster. So far, I have successfully compiled serial and
parallel versions of amber14. I am having issues in compiling cuda
version. Attached is the log file. Some of the important errors are:

-- Cleaning the src directories. This may take a few moments.
Configure complete.
cd AmberTools/src && make install
make[1]: Entering directory `/home/mhb75/amber14/AmberTools/src'
AmberTools14 has no CUDA-enabled components

In file included from /usr/local/cuda/include/math_functions.h:7559,
                 from /usr/local/cuda/include/common_functions.h:167,
                 from /usr/local/cuda/include/cuda_runtime.h:76,
                 from <command-line>:0:
/opt/intel/composer_xe_2011_sp1.6.233/compiler/include/math.h:27:3: error:
#error "This Intel <math.h> is for use with only the Intel compilers!"
make[4]: *** [kForcesUpdate.o] Error 1
make[4]: Leaving directory `/home/mhb75/amber14/src/pmemd/src/cuda'
make[3]: *** [cuda/cuda.a] Error 2
make[3]: Leaving directory `/home/mhb75/amber14/src/pmemd/src'
make[2]: *** [cuda] Error 2
make[2]: Leaving directory `/home/mhb75/amber14/src/pmemd'
make[1]: *** [cuda] Error 2

I am not quite sure how to resolve this problem.



AMBER mailing list

Received on Tue Jul 22 2014 - 13:00:02 PDT
Custom Search