Skip to Content.
Sympa Menu

forum - Re: [abinit-forum] A problem for ABINIT-5.1.4

forum@abinit.org

Subject: The ABINIT Users Mailing List ( CLOSED )

List archive

Re: [abinit-forum] A problem for ABINIT-5.1.4


Chronological Thread 
  • From: Masayoshi Mikami <mmikami@rc.m-kagaku.co.jp>
  • To: forum@abinit.org
  • Subject: Re: [abinit-forum] A problem for ABINIT-5.1.4
  • Date: Mon, 4 Sep 2006 10:03:11 +0900

Dear Lo,

I forgot to include the URL of "Problem Report". My bad.
http://www.abinit.org/community/?text=bug_report

Still, we could not realize what is going on there.
Your problem is related to "abinip" (parallel) only ?
or you still have the problem with "abinis" (sequential) ?
How about information about the platform you use ?
(possibly, the system memory might not be sufficient ?)

If the log file is not so long, you could attach the log file
(gzipped format might be preferred, if the log is long...)
Please peruse the "Problem Reports", before posting.
(see also, http://www.abinit.org/community/?text=netiquette)
Thanks.

Regards,
Masayoshi

On 2006/09/03, at 14:56, septhiroth0629@hotmail.com wrote:

Dear all

First thank for Masayoshi suggest.
This is my input file:


localrdwf 1
occopt 1
diemac 1.0
diemix 0.5
ixc 7

natfix 2
iatfix 1 2
ionmov 3
optcell 1
ntime 100
dilatmx 1.1
acell 3*15
rprim 1.0 0.0 0.0
0.0 1.0 0.0
0.0 0.0 1.0
chkprim 0
nkpt 1

ecut 35.0
ecutsm 0.5
nline 30
nstep 200
toldfe 1.0d-6
tolmxf 5.0d-4

natom 2
nband 6
ntypat 1
typat 2*1
xcart 9.676 7.5 7.5
5.0 7.5 7.5
znucl 13





This is an Al cluster.
The error in log file is:
Error encountered while attempting to allocate a data object. The program
will stop.

Is there any problems in my input file?

Thank for help
W.C Lo





Archive powered by MHonArc 2.6.16.

Top of Page