[gmx-users] How to install gromacs on cpu cluster

[Benson Muite]

Hi Yeping,

Minimum required compiler version for the latest release is GCC 4.8.1 :

http://manual.gromacs.org/documentation/current/install-guide/index.html

GROMACS 4.5 seems to indicate support for GCC 4.5 
(http://www.gromacs.org/Documentation/Installation_Instructions_4.5)

Is CMAKE on your cluster? If so what version?

Regards,

Benson

On 6/29/19 12:08 PM, sunyeping wrote:
> Hello Benson,
>
> Thank you for respond to my question. There is no GPU on my cluster.
>
> Best regards,
>
> Yeping
>
>     ------------------------------------------------------------------
>     From:Benson Muite <benson_muite at emailplus.org>
>     Sent At:2019 Jun. 29 (Sat.) 16:56
>     To:gromacs <gmx-users at gromacs.org>; 孙业平 <sunyeping at aliyun.com>
>     Subject:Re: [gmx-users] How to install gromacs on cpu cluster
>
>     Hi Yeping,
>
>     It may be easier to install a newer version of GCC. Are there any GPUs
>
>     on your cluster?
>
>     Benson
>
>     On 6/29/19 11:27 AM, sunyeping wrote:
>     >
>     > Dear everyone,
>     >
>     > I would like to install gromacs on a cpu cluster of 12 nodes, with each node containing 32 cores. The gcc version on the cluster is 4.4.7. Which version of gromacs can be properly compiled with this gcc version?
>     >
>     > The cluster support PBS job submission system, then what is the correct options for cmake (or maybe configure) when compiling gromacs?
>     >
>     > Thank you in advance.
>     >
>     > Best regards.
>     > Yeping
>
>