ABINIT Discussion Forums

could any one tell me that which version of abinit will be suitable for windows 7. actully i have 64 bit processor and the older version of abinit is not running on it.i have try to run some file on it but it display some error msges on the other hand the same file is running successfully on windows xp on 32 bit processor please help me.
with regards

Hi Sana,

try the one on http://ftp.abinit.org/abinit-6.6.2_i686 ... gnu4.5.zip - not obvious from the filename but this one is a 64bit binary suitable for Windows 7.

Kind regards,

Alain

dearJacques ,
i have try to run the file on abinit-6.6.2_i686_cygwin_gnu4.5. but it still creating the problem,after 2-3 sec the progrm get terminated without giving any error message.
in out put file i got

.Version 6.6.2 of ABINIT
.(MPI version, prepared for a i686_cygwin_gnu4.5 computer)

.Copyright (C) 1998-2011 ABINIT group .
ABINIT comes with ABSOLUTELY NO WARRANTY.
It is free software, and you are welcome to redistribute it
under certain conditions (GNU General Public License,
see ~abinit/COPYING or http://www.gnu.org/copyleft/gpl.txt).

ABINIT is a project of the Universite Catholique de Louvain,
Corning Inc. and other collaborators, see ~abinit/doc/developers/contributors.txt .
Please read ~abinit/doc/users/acknowledgments.html for suggested
acknowledgments of the ABINIT effort.
For more information, see http://www.abinit.org .

.Starting date : Thu 14 Apr 2011.
- ( at 1h14 )

- input file -> Si-Nanowire-GeoOpt.in
- output file -> Si-Nanowire-GeoOpt.out
- root for input files -> Si-Nanowire-GeoOpt-i
- root for output files -> Si-Nanowire-GeoOpt-o


Symmetries : space group P1 (# 1); Bravais aP (primitive triclinic)
================================================================================
Values of the parameters that define the memory need of the present run
intxc = 0 ionmov = 3 iscf = 7 xclevel = 1
lmnmax = 2 lnmax = 2 mband = 110 mffmem = 1
P mgfft = 960 mkmem = 20 mpssoang= 3 mpw = 443654
mqgrid = 3001 natom = 54 nfft = 9331200 nkpt = 20
nloalg = 4 nspden = 1 nspinor = 1 nsppol = 1
nsym = 1 n1xccc = 2501 ntypat = 1 occopt = 1
For the susceptibility and dielectric matrices, or tddft :
mgfft = 540 nbnd_in_blk= 14 nfft = 1620000 npw = 14677
================================================================================
P This job should need less than 28214.507 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
WF disk file : 14893.172 Mbytes ; DEN or POT disk file : 71.193 Mbytes.
================================================================================

please help me what went wrong with it

sequential or parallel run? In the latter case, did you start the smp daemon?

Alain

dear,
thanx , http://ftp.abinit.org/abinit-6.6.2_i686 ... gnu4.5.zip now working on my system. thanx for help.
with regards,
sana

Hi

I have similar problem(program terminates after 2-3 seconds) when try use 6.6.3 and 6.6.2 versions of abinit for windows 7:

1.I first extract [url]''abinit-6.6.3_i686_cygwin_gnu4.5.zip''[/url]
2.Then go to '' bin'' and execute '' abinit.exe''.
3.Then i enter the name of my input file and output and temp files,then the program want the name of formatted atomic psp files and when i enter both names of my psp it terminates.
4.In the output file i get :

.Version 6.6.3 of ABINIT
.(MPI version, prepared for a i686_cygwin_gnu4.5 computer)

.Copyright (C) 1998-2011 ABINIT group .
ABINIT comes with ABSOLUTELY NO WARRANTY.
It is free software, and you are welcome to redistribute it
under certain conditions (GNU General Public License,
see ~abinit/COPYING or http://www.gnu.org/copyleft/gpl.txt).

ABINIT is a project of the Universite Catholique de Louvain,
Corning Inc. and other collaborators, see ~abinit/doc/developers/contributors.txt .
Please read ~abinit/doc/users/acknowledgments.html for suggested
acknowledgments of the ABINIT effort.
For more information, see http://www.abinit.org .

.Starting date : Sun 17 Jul 2011.
- ( at 12h17 )

- input file -> SrS-band.in
- output file -> SrS-band.outA
- root for input files -> SrS-bandi
- root for output files -> SrS-bando

5.what should i do for use of sequential?( the program execude the t30.in test truly and completley)
6. for use of parallel,should i first execute smpd.exe? if it,i do but it also terminate fast.

Thanks.

Dear bahaar,

as indicated in the README file :

* parallel

- start as administrator , a "command prompt" to start smpd
bin\smpd -install

- as "user"
cd share\example
..\..\bin\mpiexec -localonly 2 ..\..\bin\abinit < "t_kpt+spin.files"

another solution is to install ( as admin) the mpich2 package for windows ( http://www.mcs.anl.gov/research/projects/mpich2/ )
the smpd will be started by the installer ( as windows service )

good luck

jmb

Dear bahaar,

Sorry , I forgot to answer the seq question...

what is the output / error ?

regards

jmb

Hi Dear Alain jbeuken.
you are right. I do the steps in README files more accurate and now this version work correctly .
thankful.

Hi
I use v.6.6.3 abinit with windows7. Abinit run well in sequential. For parallel i have a question. I use the "bin\smpd -install" command as determined in readme. A new window open for 2-3 second and then close. this windows have three line: 1. stopping MPICH2 process Manager, Argonne National lab.
2. MPICH2 process Manager, Argonna National lab Stopped.
3. MPICH2 process Manager, Argonna National lab removed.
what is this mean? I can't use of parallel?

Thanks.

Hi
maybe i misexplain my problem.

bahaar wrote:Hi
I use v.6.6.3 abinit with windows7. Abinit run well in sequential. For parallel i have a question. I use the "bin\smpd -install" command as determined in readme. A new window open for 2-3 second and then close. this windows have three line be appeared: 1. stopping MPICH2 process Manager, Argonne National lab.
2. MPICH2 process Manager, Argonna National lab Stopped.
3. MPICH2 process Manager, Argonna National lab removed.

Then i run this command: " D:\abinit-6.6.3_i686_cygwin_gnu4.5\abinit-6.6.3_i686_cygwin_gnu4.5\bin>mpiexec -localonly 2 D:\abinit-6.6.3_i686_cygwin_gnu4.5\abinit-6.6.3_i686_cygwin_gnu4.5\bin\abinit < t_kpt+spin.files.
But in output this error appeared:
CreateProcess failed, error 740
unable to start the local smpd manager.
please help me. I'm not realy familiar with computer issues.
Thank you.

Hello,

First of all, I'm just trying the recipe with my PC with a fresh windows 7 installation and the "abinit-6.6.3_i686_cygwin_gnu4.5.zip" package

bahaar wrote:For parallel i have a question. I use the "bin\smpd -install" command as determined in readme.

except for the command "bin\smpd -install" when Windows firewall asks me the permission to open the access to the private network
everything works correctly

caution : this command must be run as administrator ( as mentioned in the Readme file )

Then i run this command: " D:\abinit-6.6.3_i686_cygwin_gnu4.5\abinit-6.6.3_i686_cygwin_gnu4.5\bin>mpiexec -localonly 2 D:\abinit-6.6.3_i686_cygwin_gnu4.5\abinit-6.6.3_i686_cygwin_gnu4.5\bin\abinit < t_kpt+spin.files.

there is another problem with your cmd : it seems that you are in the bin folder to run this command ! but the file "t_kpt+spin.files" is in the share\example folder !

I suggest to run abinit like that :



regards

jmb

Bahaar

another precision concerning mpich2 smpd daemon...

bahaar wrote:1. stopping MPICH2 process Manager, Argonne National lab.
2. MPICH2 process Manager, Argonna National lab Stopped.
3. MPICH2 process Manager, Argonna National lab removed.

if the "bin\snmp -install" had been already started, the service is running then , no need to start again

if you still rerun "bin\snmp -install" , then you can see these outputs ( and it is normal ) :

Stopping MPICH2 process Manager, Argonne National lab.
MPICH2 process Manager, Argonna National lab Stopped.
MPICH2 process Manager, Argonna National lab removed.
MPICH2 process Manager, Argonna National lab installed.

with the TaskManager, you can see if the process mpich2_smpd is running

regards

jmb

Dear jbeuken
First thank's for your regard.
I realy copied the t_kpt+spin.files in bin and get the error that mentiond in the previous mail.
I do your instruction exactly but again get same error
"CreateProcess failed, error 740
unable to start the local smpd manager".

I should use exactly dots in " ..\..\bin\mpiexec -localonly 2 ..\..\bin\abinit < "t_kpt+spin.files" or replace with directory?
For parallel runing the two command :
- start as administrator , a "command prompt" to start smpd
bin\smpd -install

- as "user"
cd share\example
..\..\bin\mpiexec -localonly 2 ..\..\bin\abinit < "t_kpt+spin.files"

are necessary. is right?

Hi,

I should use exactly dots in " ..\..\bin\mpiexec -localonly 2 ..\..\bin\abinit < "t_kpt+spin.files" or replace with directory?

you can replace with directory ( full path )

- start as administrator , a "command prompt" to start smpd
bin\smpd -install

only this command is mandatory and you must see if the process mpich2_smpd is running...

jmb

Thank you very much dear jbeuken .