[CP2K:4169] geo_opt_cp2k

[Sandeep Kumar Reddy]

Dear all,
              I also faced similar problem. It many times stops at starting
of 2nd optimization step and it is independent of job type, mean system
size. One more thing i observed is, it depends on machine/server. On few of
them, i never faced this problem for same type of system.

Memory usage is small for systems i studied. It may not be an issue.

-Sandeep


On Thu, Nov 8, 2012 at 12:37 AM, Lei Li <leili... at gmail.com> wrote:

> How about memory usage?
>
>
> On Wed, Nov 7, 2012 at 11:21 AM, anirban mondal <
> anirbanbl... at gmail.com> wrote:
>
>> Dear all,
>>             I am doing geometry optimization of a system containing 714
>> atoms. But each time the job is coming out at optimization step 2 without
>> any error. The same job is running when it is restarted. Can anybody
>> suggest something.
>>
>> thanks in advance;
>> anirban
>>
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>
>
>
> --
> Best,
> Lei
>
> University of Nebraska - Lincoln,
> Department of Chemistry,
> 536 Hamilton Hall.
> Lincoln, NE 68588
> Phone: 402-853-8119
>
>
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