[CPMD-list] A problem with memory allocation
Bin Pan
binpan at MIT.EDU
Thu Jan 20 05:36:44 CET 2005
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
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