In my case, the problem was with multiple versions of software. What worked was to use only the system Cmake, OpenMPI, etc and not download them from distributors.
I did not mange to resolve the problem with PERL though.
Valentin V. Rybenkov
University of Oklahoma
101 Stephenson Parkway
Norman, OK 73019
Web: antibiotics.oucreate.com
From: David A Case via AMBER<mailto:amber.ambermd.org>
Sent: Wednesday, August 24, 2022 7:35 PM
To: Hamza, Adel<mailto:adel.hamza.corteva.com>; AMBER Mailing List<mailto:amber.ambermd.org>
Subject: Re: [AMBER] AMBER22 failed during installation on CUDA and centos 7.9
On Wed, Aug 24, 2022, Hamza, Adel via AMBER wrote:
>I need help please, I was unable to compile and install amber22 on
>cuda. The MPI version on cpu was installed fine.
>
>CentOS 7.9
>gcc 7.2
>cmake 3.17
>
>CUDA - I've tried both 10.1.168 and 11.2
>The GPU Card is : P100
>
>---------------------------------------
>[ 89%] Building NVCC (Device) object src/pmemd/src/xray/cuda/CMakeFiles/pmemd_xray_cuda.dir/src/xray/pmemd_xray_cuda_generated_BulkMaskGPU.cu.o
>/share/apps/cuda/11.2.0/include/thrust/detail/allocator/allocator_traits.h(245): error: class "thrust::detail::device_delete_allocator" has no member "value_type"
We see this with RHEL/CentOS with some combinations, but not all, of gcc and
nvcc. We have a workaround, but don't understand what the underlying
problem really is.
Try this:
cd amber22_src/src/pmemd/src
mv CMakeLists.txt CMakeLists.txt.original
cp CMakeLists.txt.noxray CMakeLists.txt
# rebuild
cd amber22_src/build
./clean_build
./run_cmake
make
This problem was detected during beta testing on various platforms:
RHELS 7.9 with GNU 9.1.0 and nvcc's 11.2.152, 11.1.105, 11.0.221;
CentOS 7.9 with GNU 10.2.0 and nvcc 11.1.74.
And was reported by user Felix Bangerter
on CentOS 7.8 with GNU 7.1.0 and CUDA 10.2.89.
For him the same problems did not occur when using CUDA 11.4.1.
(Above is from here: http://archive.ambermd.org/202206/0040.html)
...good luck....dac
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Received on Wed Aug 24 2022 - 18:30:03 PDT
