Dear Sir
I founded these error after Compiling All
My system ubuntu 10.04 Lib =GotoBLAS2 Compiler gfortran
Directory where i install nrl/home/GotoBLAS2
Following errors
Compile time errors (if any) were:
SRC_lapw0/compile.msg:modules.F:19: Error: Can't open included file 'mpif.h'
SRC_lapw0/comp
Dear Prof. Blaha,
Many thanks for your comments !
I have suspected that without the .machines file I would have problems
to mix k-points and mpi parallelization.
The reason to use mpiexec_mpt instead of mpirun I will have to ask to
the guys from the computing center (I can not imagine a r
If you do not mix k-parallel and mpi-parallel runs, it is probably save. (i.e.
for VERY big cases)
The question is: why are you using mpiexec_mpt ??
Usually it is better to use the more general mpirun (or the less general
mpiexec) instead
of the "special mpiexec_mpt comand.
Besides that, f
Dear all,
Dr. Gavin Abo pointed me out that I should have mentioned that I am
using mpiexec_mpt instead of mpiexec, so, in my case, the mpi execution is
controlled by the PBS_NODEFILE variable and not by a machines file (thanks
Dr. Abo for this).
Anyway, I would like to know if it is safe to
Dear Prof. Marks, Blaha and Wien2k community,
I want to do calculations in a computer where the machinefile variable
is not defined for the mpiexec (I am not the administrator). I would like
to know if this will have some impact on the MPI Wien2k performance.
Thanks in advance,
Dear Lyudmila , Thank you so much for your kind information.
Best wishes
Ghazal
On Sat, Mar 30, 2013 at 5:00 PM, Добышева Людмила wrote:
> 30.03.2013 12:07, Ghazal Bishal wrote:
>>>
>>> i do initialization and initso and
>>> runsp_lapw - so again , but this error was appeared . in the struct
>
Hi,
"no space left on device" means that your hard disk is full. The command "df"
reports file system disk space usage.
F. Tran
-wien-boun...@zeus.theochem.tuwien.ac.at wrote: -
To: "wien@zeus.theochem.tuwien.ac.at"
From: ben abdallah houda
Sent by: wien-boun...@zeus.theochem.tuwien.a
Hello dr. Abdallah,
The first thing I would do is check the partition/drive which you use as
scratch directory ($SCRATCH). You should have this defined in either
your .bash_profile/.bashrc or the script you use to run wien
calculations (if there is one).
If you are using a simple setup you w
I would suggest talking to your system administrator or IT support
person, or perhaps deleting some unused files in your home directory.
This is not a Wien2k problem but a system issue.
Best regards,
--
Eamon McDermott, M.Sc.
Institute of Materials Chemistry, TU Wien
eamon.mcderm...@tuwien.ac.at
Dear users,
I already sent an email regarding my problem that I encountered during the
execution of x opticc. the error is found"no space left on device". Someone can
help me to solve? I'll be very grateful. This is very urgent.
thank you for your cooperation.
Dr Houda Ben Abdallah
Laborator
You can likely check whether your structure is symmorphic or
non-symmporhic with the terminal command:
grep PGBSYM *
Note: This file grep requires that 'x symmetry' was ran first during
initialization to create the case.outputs file.
If symmporhic, as the message "not treated with irrep" say
Respected Gavin Abo and wien Community
I still get the sam result even after doing calculations with down state.
Kindly have a look at the x spaghetti (attached below). Thank you once again
Commandline: x spaghetti
Program input is: ""
number of k-points read in case.vector= 111 k-
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