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

2019-07-02 Thread sunyeping
Thank you Benson. These are very helpful. Yeping -- From:Benson Muite Sent At:2019 Jul. 1 (Mon.) 20:41 To:孙业平 ; gromacs.org_gmx-users Subject:Re: [gmx-users] How to install gromacs on cpu cluster Hi Yeping, A full build may

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

2019-07-01 Thread Benson Muite
very clear how these should be done exactly. Could you give the exact commands? Best regards Yeping Q ; gromacs Subject:Re: [gmx-users] How to install gromacs on cpu cluster Hi Yeping, Minimum required compiler version for the latest release is GCC

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

2019-07-01 Thread sunyeping
d be done exactly. Could you give the exact commands? Best regards Yeping Q; gromacs Subject:Re: [gmx-users] How to install gromacs on cpu cluster Hi Yeping, Minimum required compiler version for the latest release is GCC 4.8.1 : http://manual.gromacs.org/documentation/current/install-guide/index.ht

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

2019-06-30 Thread Benson Muite
  Q   ; gromacs     Subject:Re: [gmx-users] How to install gromacs on cpu cluster     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 suppo

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

2019-06-29 Thread Benson Muite
ese should be done exactly. Could you give the exact commands? Best regards Yeping Q ; gromacs Subject:Re: [gmx-users] How to install gromacs on cpu cluster Hi Yeping, Minimum required compiler version for the latest release is GCC 4.8.1 : http://manual.g

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

2019-06-29 Thread sunyeping
the exact commands? Best regards Yeping Q; gromacs Subject:Re: [gmx-users] How to install gromacs on cpu cluster 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 indica

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

2019-06-29 Thread Benson Muite
At:2019 Jun. 29 (Sat.) 16:56 To:gromacs ; 孙业平 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

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

2019-06-29 Thread sunyeping
Hello Benson, Thank you for respond to my question. There is no GPU on my cluster. Best regards, Yeping -- From:Benson Muite Sent At:2019 Jun. 29 (Sat.) 16:56 To:gromacs ; 孙业平 Subject:Re: [gmx-users] How to install gromacs on cpu

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

2019-06-29 Thread Benson Muite
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

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

2019-06-29 Thread sunyeping
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