Re: Nightly build version: Parallel IO can not be used with langevin On

From: Gabriel Jara (gabriel.fcq.unc.ar_at_gmail.com)
Date: Wed May 19 2010 - 07:46:18 CDT

Dear Yudong Sun,

I wrote a email with the same error message (within others), but nobody has
answered me yet.

Are you running AMBER topology?

Cheers,

Gabriel

On Wed, May 19, 2010 at 9:01 AM, Yudong Sun <yudong_at_nag.co.uk> wrote:

> Hi,
>
> I wonder if I can get any answer to my question in this thread.
>
> Cheers,
>
> Yudong
>
> Yudong Sun wrote, On 07/05/2010 12:21:
>
>> Hi,
>>
>> I have a simulation case that ran into infinite loop in minimization with
>> NAMD 2.7b1/b2. According the search result in NamdWiki, I have downloaded
>> the latest Nightly build source. However, the nightly build version has
>> generated a new error at startup :
>>
>> FATAL ERROR: Parallel IO can not be used with langevin On.
>>
>> FATAL ERROR: See http://www.ks.uiuc.edu/Research/namd/bugreport.html
>> ------------- Processor 0 Exiting: Called CmiAbort ------------
>> Reason: FATAL ERROR: Parallel IO can not be used with langevin On.
>>
>> FATAL ERROR: See http://www.ks.uiuc.edu/Research/namd/bugreport.html
>>
>> As I see, this error check is newly added to NamdState.C which doesn't
>> exist in 2.7b2. Does it make sense if I comment out the check and let the
>> simulation move on?
>>
>> I sent this error to namd_at_ks.uiuc.edu two days ago but no feedback yet.
>>
>> Thanks,
>>
>> Yudong
>>
>>
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-- 
Lic. Gabriel E. Jara
INFIQC - CONICET
Departamento de Química Orgánica
Facultad de Ciencias Químicas
Universidad Nacional de Córdoba
Tel: ++54-351-4334170/4173 int. 132
Fax: ++54-351-4333030
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