[gmx-users] Failed to allocated u bytes of aligned memory (mdrun)

[Jerome Henin]

By the way, line 75 in fftgrid.c should read:
gmx_fatal(FARGS,"Failed to allocate %u bytes of aligned memory.",size+32);

(removed d in 'allocated' and fixed %u format specifier)

Best,
Jerome

On Tuesday 01 August 2006 11:10, PAUL NEWMAN wrote:
> PAUL NEWMAN wrote:
> > Dear all:
> > I made a simulation about a polyelectrolyte with some ions, it runs ok
> > when I use cut-off for both Wdv and Coulomb. However I get the following
> > error when I change it to PME. I attache my mdp file . Could someone
> > help me to find what it's wrong in my file?. Thanks in advance.
> > -------------------------------------------------------
> > Program mdrun, VERSION 3.3.1
> > Source code file: fftgrid.c, line: 75
> >
> > Fatal error:
> > Failed to allocated u bytes of aligned memory.
> > -------------------------------------------------------
>
>  CARSTEN wrote:
> >How big is your system (number of atoms)? Seems there is not enough
> >memory to initialise the pme grid. On how many CPUs and on how many
> >nodes do you run?
> >Carsten
>
> Thanks Carsten for replying so fast. In my simulation I consider a single
> polyelectrolyte chain consisting of 50 charged beads of valency -1  with 50
> oppositely charged counterions of same valency so my system is 100 atoms.
> My box simulation is 400 nm x 400 nm x 400 nm  and the polyelectrolyte
> length is 100 nm. I'm runnig in a single processor. I think my system is
> small, isn't it?
>  I can send you all my files if you want. Any suggestion  would be  highly
> appreciated and thanks in advance.
>
> Cheers,
>
> Paul
> National Tsing Hua University (清�大�)
>
> ��你的�忙
> I appreciate your help. Thanks!
> Os agradezco la ayuda. Gracias!