[AMBER] Help compiling AMBER18 GPU Code- Cannot find compiler cl.exe in PATH

From: Jay Spencer <jas0123.uah.edu>
Date: Wed, 29 May 2019 21:01:53 -0500


I am trying to compile the AMBER18 CUDA/GPU code as instructed here
<http://ambermd.org/GPUHowTo.php> and am running into a bit of trouble. I
am on Windows 10 and doing this from a Linux subsystem/Ubuntu 18.04.1.

Whenever I enter "make install" into the command line I get the following

make[3]: Leaving directory '/home/jas0123/amber18/AmberTools/src/arpack'
/mnt/c/Users/jas0123/CUDA/v9.2/bin/nvcc -gencode arch=compute_30,code=sm_30
-gencode arch=compute_35,code=sm_35 -gencode arch=compute_37,code=sm_37
-gencode arch=compute_50,code=sm_50 -gencode arch=compute_52,code=sm_52
-gencode arch=compute_53,code=sm_53 -gencode arch=compute_60,code=sm_60
-gencode arch=compute_61,code=sm_61 -gencode arch=compute_60,code=sm_70,
-gencode arch=compute_61,code=sm_70 -Wno-deprecated-declarations
-use_fast_math -O3 -ccbin g++ -o cuda_pb.o -c cuda_pb.cu
*nvcc fatal : Cannot find compiler 'cl.exe' in PATH*
Makefile:137: recipe for target 'cuda_pb.o' failed
make[2]: *** [cuda_pb.o] Error 1
make[2]: Leaving directory '/home/jas0123/amber18/AmberTools/src/pbsa'
Makefile:447: recipe for target 'cuda_serial' failed
make[1]: *** [cuda_serial] Error 2
make[1]: Leaving directory '/home/jas0123/amber18/AmberTools/src'
Makefile:7: recipe for target 'install' failed
make: *** [install] Error 2

After Googling I found here
that cl.exe comes from Visual Studio and that you need to install the C++
development tools along with Visual Studio. I installed these two and
attempted to add the path to cl.exe to my PATH. I still get the errors
described above.

I previously had difficulties with the "./configure -cuda gnu" command not
finding nvcc.exe when the NVIDIA Toolkit was installed under: C:\Program
Files\NVIDIA GPU Computing Toolkit\CUDA\v9.2\bin
The solution to this was copying the CUDA installation to my user account
like so : C:\Users\jas0123\CUDA\v9.2\bin

I tried this solution for the Visual Studio Install and it did not work.
Below is everything currently in my .bashrc file related to AMBER18

export AMBERHOME=/home/jas0123/amber18
source /home/jas0123/amber18/amber.sh
export CUDA_HOME=/mnt/c/Users/jas0123/CUDA/v9.2
export PATH=$PATH:'mnt/c/Users/jas0123/CUDA/v9.2/bin/'
export PATH=$PATH:'mnt/c/Users/jas0123/Microsoft Visual Studio 14.0/vc/bin/'
export PATH=$PATH:'mnt/c/Users/jas0123/Microsoft Visual Studio
export PATH=$PATH:$CUDA_HOME/bin:'/mnt/c/Program Files (x86)/Microsoft
Visual Studio/2019/Community/VC/Tools/MSVC/14.21.27702/bin/Hostx64/x64'

I have verified that cl.exe is present at: mnt/c/Users/jas0123/Microsoft
Visual Studio 14.0/vc/bin/cl.exe. For whatever reason it is not detected. I
searched through the mailing list and could not find an issue like this. Thank
you all for your time and help. I greatly appreciate it.

Jay Spencer
AMBER mailing list
Received on Wed May 29 2019 - 19:30:02 PDT
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