From: Sourav Ray (souravray90_at_gmail.com)
Date: Sat Sep 12 2015 - 01:11:30 CDT
Hello Parag and Peter
Try this script with NAMD-TCP version on PBS. Worked for me.
On Sat, Sep 12, 2015 at 9:25 AM, Abhishek Tyagi <atyagiaa_at_connect.ust.hk>
wrote:
> Dear Parag,
>
> Have you gone through the mailing list, you may find similar questions
> asked previously. For multiple node for example cluster, your job examples
> were given in namd readme file. Just follow the instructions.
>
>
> On 11 Sep, 2015, at 9:02 pm, Parag Khuraswar <parag_k_at_citilindia.com>
> wrote:
>
> Hi,
>
>
> Can anyone help to run 1 job of MAND on multiple node. How to create a
> node file and command line syntax in PBS job script for NAMD.
>
> Regards,
> Parag
> +91 8308806004
>
> *From:* Parag Khuraswar
> *Sent:* Wednesday, September , 2015 9:58 AM
> *To:* namd-l_at_ks.uiuc.edu
> *Cc:* 'Peter Freddolino'
> *Subject:* node file for NAMD
>
> Hi,
>
> Can anyone help me to know how to create PBS node file to run one NAMD job
> on multiple node. And also command line syntax in PBS job script for NAMD.
>
> Regards,
> Parag
> +91 8308806004
>
>
>
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