[CPMD-list] A problem with memory allocation

[Bin Pan]

Thank you Abraham!
I thought this problem comes from the intel fortran compiler, because it is
Intel(R) Fortran Compiler for 32-bit applications, Version 8.1
which is not suitable for 64bit machines.
I tried almost all the ways mentioned on the forum, just did not work.
Any further suggestion will be greatly appreciated!

Best,
Bin.


At 07:00 AM 1/20/2005 +0000, you wrote:
>You could try a google search of the forum. It might
>be a problem related to the way ifc 8.0 handles the
>threads lib (libpthreads) in linux.
>
>Alternatively you can try setting(i.e execute in
>terminal):
>
>ulimit -s unlimited
>
>This is more likely to work for the serial rather than
>the parallel implementation.
>
>  --- Bin Pan <binpan at MIT.EDU> wrote:
> > Dear all,
> >
> > I just compiled a parallel version of cpmd3.9 using
> > ifc and mpich.
> > But after I executed the parallel command, I found
> > the output is like the
> > following.
> > Can anyone please tell me how to solve this problem?
> > BTW, I suspect that is relevant to the fact that the
> > system is 64bit. But I
> > really do not know
> > exactly what caused this. The installation process
> > for ifc 8.0 using 32bit
> > was successful on this machine.
> > I used the non-commercial version of this fortran
> > compiler from their website.
> >
> > Thank you very much!!!
> >
> >
>================================================================
> >   =               UNKNOWN KEYWORDS IN SECTION &CPMD
> >             =
> >   =   mOLECULAR DYNAMICS
> >             =
> >
> >
>================================================================
> >
> >
> >   EXCHANGE CORRELATION FUNCTIONALS
> >      LDA EXCHANGE:                        SLATER
> > (ALPHA = 0.66667)
> >      LDA CORRELATION:
> > LEE, YANG & PARR
> >         [C.L. LEE, W. YANG, AND R.G. PARR, PRB 37
> > 785 (1988)]
> >      GRADIENT CORRECTED FUNCTIONAL
> >      DENSITY THRESHOLD:
> >   1.00000E-08
> >      EXCHANGE ENERGY
> >         [A.D. BECKE, PHYS. REV. A 38, 3098 (1988)]
> >         PARAMETER BETA:
> >      0.004200
> >      CORRELATION ENERGY
> >         [LYP: C.L. LEE ET AL. PHYS. REV. B 37, 785
> > (1988)]
> >
> >
> >
> >
>****************************************************************
> >   PROCESSOR     0 ALLOCATION OF      321280 WORDS OF
> > MEMORY FAILED
> >
> >
>****************************************************************
> >
> >   ***    MEMORY| THE NEW SIZE OF THE PROGRAM IS
> > 7232/  19284 kBYTES ***
> >
> >
> >
>================================================================
> >                        BIG MEMORY ALLOCATIONS
> >   NGHTOL               400                WGH
> >           400
> >   RGH                  400                WSG
> >           400
> >   NGHCOM               400                VELP
> >           108
> >   TAU0                 108                RCL
> >            48
> >   BL                    48                AL
> >            48
> >
> >
>----------------------------------------------------------------
> >   [PEAK NUMBER   11]      PEAK MEMORY         2400 =
> >    0.0 MBytes
> >
> >
>================================================================
> >
> >
> >   PROGRAM STOPS IN SUBROUTINE MEMORY| ALLOCATION
> > FAILED (GNL) [PROC=   0]
> > p0_16389:  p4_error: : 999
> >
> > _______________________________________________
> > CPMD-list mailing list
> > CPMD-list at cpmd.org
> > http://cpmd.org/mailman/listinfo/cpmd-list
> >
>
>
>
>
>
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