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
>
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Received on Tue Nov 02 2010 - 09:30:04 PDT
