Re: [AMBER] run_cmake error for installing the GPU version of Amber20

From: Tru Huynh <>
Date: Mon, 6 Dec 2021 09:23:59 +0100


On Mon, Dec 06, 2021 at 11:02:07AM +0800, jinfeng liu wrote:
> It seems like the compiler's problem. I use gcc version 4.8.5 20150623 (Red
> Hat 4.8.5-44) (GCC). What should I do? or how to enable the -std=c++11
> option?
- You need to install one of the devtoolset-NN package (version >=8) on CentOS-7
        gcc-8.2.1 devtoolset-8
        gcc-9.3.1 devtoolset-9
        gcc-10.2.1 devtoolset-10
- Enable devtoolset-NN
- Rebuild from source openmpi with this compiler version, as the centos
  provided mpi, may or may not work the this devtoolset compiler
  version... Make sure you are using the right mpi version with the
  right compilers.
- Rebuild amber with mpi

yum -y install centos-release-scl
yum -y install devtoolset-8
# or devtoolset-9 or devtoolset-10 and modify the following line accordingly
scl enable devtoolset-8 bash

You need gcc version >= 6, they don't mention if gcc-10 is too new,


Tru Huynh (PhD) | | tel +33 1 45 68 87 37
Institut Pasteur, 25-28 rue du Docteur Roux, 75724 Paris CEDEX 15 France  
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Received on Mon Dec 06 2021 - 00:30:02 PST
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