Hi Ross
Yes, I did.
I have tried again, but with the same result.
thanks
Andrew
On 11/2/2010 5:07 PM, Ross Walker wrote:
> Hi Andrew,
>
> Did you apply all of the bugfixes?
>
> http://ambermd.org/bugfixes10.html
>
> These may address the issue.
>
> All the best
> Ross
>
>> -----Original Message-----
>> From: Andrew Emerson [mailto:a.emerson.cineca.it]
>> Sent: Tuesday, November 02, 2010 4:22 AM
>> To: amber.ambermd.org
>> Subject: [AMBER] Amber10 segmentation fault with AIX
>>
>> Dear all
>>
>> I have installed amber10 on our AIX 6.1 system but the make
>> test.serial.QMMM gives me a segmentation fault:
>>
>> cd qmmm2/MG_QM_water_MM_AM1_periodic&&
>> ./Run.notimaged_md_pme_qmewald_lowmem
>>
>> Segmentation fault (core dumped)
>> ./Run.notimaged_md_pme_qmewald_lowmem: Program error
>> make: *** [test.sander.QMMM] Error 1
>>
>> I have identified the line involved and it is in the file
>> _qm2_energy.f at line 107
>>
>> 107 call qm_ewald_mm_pot(qmmm_struct%qm_xcrd,
>> qmmm_struct%qm_mm_pairs, qmmm_struct%qm_coords, natom,&
>> 108 qmmm_nml%qmmmrij_incore, qm2_rij_eqns%qmmmrijdata,&
>> 109 scaled_mm_charges,qmewald%kvec)
>>
>> but I cant see anything obviously wrong here so I am a bit stuck.
>> Any suggestions?
>> I have the stack at maximum so I cant increase that any further.
>>
>> (I am using the IBM xlf and xlc compilers.)
>> many thanks
>> Andy Emerson
>>
>> --
>> Dr Andrew Emerson
>> CINECA (High Performance Systems)
>> via Magnanelli, 6/3
>> 40033 Casalecchio di Reno (BO)-ITALY
>>
>> e-mail: a.emerson.cineca.it
>>
>> _______________________________________________
>> AMBER mailing list
>> AMBER.ambermd.org
>> http://lists.ambermd.org/mailman/listinfo/amber
>
>
> _______________________________________________
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> http://lists.ambermd.org/mailman/listinfo/amber
>
>
--
Dr Andrew Emerson
CINECA (High Performance Systems)
via Magnanelli, 6/3
40033 Casalecchio di Reno (BO)-ITALY
tel: +39-051-6171653, fax: +39-051-6137273
e-mail: a.emerson.cineca.it
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Received on Thu Nov 04 2010 - 03:00:02 PDT
