[AMBER] help needed for failed installation of CUDA for GPU-accelerated versions of pmemd for AMBER 18

From: Billiot, Eugene <Eugene.Billiot.tamucc.edu>
Date: Sun, 22 Dec 2019 22:30:26 +0000

Hello Folks,
I was tryng to install the GPU-accelerated versions of pmemd for AMBER 18 as per contractions in section 18.6.5 in the Amber 18 manual. Below are the commands I used and the error message upon failure.
I checked for the version of gcc with the command cat /proc/version and if I am reading this correctly the version installed is gcc version 4.9.2 20150212 . However I am not sure typed in the right command to check the gcc version.

Linux version 4.1.13-100.fc21.x86_64 (mockbuild.bkernel02.phx2.fedoraproject.org) (gcc version 4.9.2 20150212 (Red Hat 4.9.2-6) (GCC) ) #1 SMP Tue Nov 10 13:13:20 UTC 2015

export CUDA_HOME=/usr/local/cuda

./configure -cuda gnu

export LD_LIBRARY_PATH="/usr/local/cuda/lib:${LD_LIBRARY_PATH}"

source /home/clewis/amber18/amber.sh

make install

failed install message

make[3]: Leaving directory '/home/clewis/amber18/AmberTools/src/arpack'

/usr/local/cuda/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 -use_fast_math -O3 -ccbin g++ -o cuda_pb.o -c cuda_pb.cu

In file included from /usr/local/cuda/bin/../targets/x86_64-linux/include/cuda_runtime.h:76:0,

from <command-line>:0:

/usr/local/cuda/bin/../targets/x86_64-linux/include/host_config.h:115:2: error: #error --

#error -- unsupported GNU version! gcc versions later than 4.9 are not supported!


Makefile:137: recipe for target 'cuda_pb.o' failed

make[2]: *** [cuda_pb.o] Error 1

make[2]: Leaving directory '/home/clewis/amber18/AmberTools/src/pbsa'

Makefile:447: recipe for target 'cuda_serial' failed

make[1]: *** [cuda_serial] Error 2

make[1]: Leaving directory '/home/clewis/amber18/AmberTools/src'

Makefile:7: recipe for target 'install' failed

make: *** [install] Error 2

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Received on Sun Dec 22 2019 - 15:00:02 PST
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