Yes, all pbsa tests got passed.
Best,
Qin
On Nov 30, 2011, at 3:59 PM, Ray Luo, Ph.D. wrote:
> For the sake of record, I'm forwarding this to the mailing list as
> well. Are you able to pass all tests after installation?
>
> All the best,
> Ray
>
> ---------- Forwarded message ----------
> From: Qin Cai <qcai.uci.edu>
> Date: Wed, Nov 30, 2011 at 3:25 PM
> Subject: Re: [AMBER] error by running MMPBSa
> To: "Ray Luo, Ph.D." <ray.luo.uci.edu>
> Cc: urszula.uchiechowska.chem.umu.se
>
>
> I was able to run pbsa with these options.
>
> I'm using AT1.5 with all latest bug fixes.
>
> Best,
> Qin
> On Nov 30, 2011, at 9:42 AM, Ray Luo, Ph.D. wrote:
>
>> Okay, I'm asking Qin to take a look of your system and setup ...
>>
>> All the best,
>> Ray
>>
>>
>> ---------- Forwarded message ----------
>> From: Urszula Uciechowska <urszula.uchiechowska.chem.umu.se>
>> Date: Wed, Nov 30, 2011 at 6:12 AM
>> Subject: Re: [AMBER] error by running MMPBSa
>> To: AMBER Mailing List <amber.ambermd.org>
>>
>>
>>
>> I attached my mmpbsa input file, topology and one snapshot on which i
>> am trying to check the mmpbsa. My system is quite small, contains
>> 170atoms (peptide). Could you have a look at it and check if its
>> working with you?
>>
>> thank you in advance
>> /Urszula
>>
>>
>>
>> ________________________________________
>> Von: Jason Swails [jason.swails.gmail.com]
>> Gesendet: Mittwoch, 30. November 2011 14:58
>> An: AMBER Mailing List
>> Betreff: Re: [AMBER] error by running MMPBSa
>>
>> A segfault out of context contains No useful information. You'll need
>> to send more details, or if there are none, details about your system,
>> options, and what may be unusual about your system. You may even have
>> to send your files so we can debug it directly.
>>
>> One thing to look at is if you have enough memory. Do you know how
>> much your job uses compared to how much you have available?
>>
>> HTH,
>> Jason
>>
>> --
>> Jason M. Swails
>> Quantum Theory Project,
>> University of Florida
>> Ph.D. Candidate
>> 352-392-4032
>>
>> On Nov 30, 2011, at 8:16 AM, Urszula Uciechowska
>> <urszula.uchiechowska.chem.umu.se> wrote:
>>
>>> Dear Amber users,
>>>
>>> I am trying to run mmpbsa, however I am getting errors:
>>>
>>> p
>>> forrtl: severe (174): SIGSEGV, segmentation fault occurred
>>> Image PC Routine Line Source
>>> pbsa 000000000041AC11 Unknown Unknown Unknown
>>> pbsa 000000000040F10A Unknown Unknown Unknown
>>> pbsa 0000000000406810 Unknown Unknown Unknown
>>> pbsa 0000000000404F1C Unknown Unknown Unknown
>>> pbsa 0000000000401D9C Unknown Unknown Unknown
>>> libc.so.6 000000310641D994 Unknown Unknown Unknown
>>> pbsa 0000000000401CA9 Unknown Unknown Unknown
>>>
>>>
>>> what is the problem here?
>>>
>>> /Urszula
>>> _______________________________________________
>>> AMBER mailing list
>>> AMBER.ambermd.org
>>> http://lists.ambermd.org/mailman/listinfo/amber
>>
>> _______________________________________________
>> AMBER mailing list
>> AMBER.ambermd.org
>> http://lists.ambermd.org/mailman/listinfo/amber
>>
>> _______________________________________________
>> AMBER mailing list
>> AMBER.ambermd.org
>> http://lists.ambermd.org/mailman/listinfo/amber
>> <mm_pbsa_binding.in><REC.prmtop><snapshot_rec.crd.1>
>
> _______________________________________________
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> http://lists.ambermd.org/mailman/listinfo/amber
>
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Received on Wed Nov 30 2011 - 17:30:02 PST
