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The problem was reported on the list before (1/18/2012), the solution
seemed to be to add to bashrc the line for 64 bit:
export MKL_TARGET_ARCH=intel64
On 4/25/2012 10:35 PM, Jameson Maibam wrote:
Dear WIEN2k users and developers, I have a problem in installation of
WIEN2k 11 using intel
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Hi,
Posted about this a few days ago but got no response. I'm having an
issue running spaghetti. When executing x spaghetti from w2web, I
immediately receive the following:
Commandline: x spaghetti
Program input is:
Segmentation fault
0.072u 0.035s 0:00.43 23.2% 0+0k 0+4io 84pf+0w
error:
Have you ever successfully run spaghetti on a different case ?
Did you insert EF into case.insp (instead of the ) ?
Hard to guess something specific.
Am 26.04.2012 17:04, schrieb Aaron Sutton:
Hi,
Posted about this a few days ago but got no response. I'm having an
issue running
The message about reading the QTLs is not error, just an information.
spaghetti dedected a case.qtl file (from your DOS calculation and noticed that
it does not fit
to the bandstructure mesh. Thus one cannot make fat-bands.
To get rid of the message, either run also thex lapw2 -qtl -band
The only interesting message is:
OPEN FAILED
also: .mist: Permission denied. is very strange ??
It must have to do with your files (wrong names, permissions,... ?)
I don't think it has to do with magnetization directions, as your
inputfiles looked ok.
Am 26.04.2012 11:08, schrieb
dear all
recently I switch to MPI parallel execution.I compile the
scalapack.2.0.1 and GotoBLAS2 and recompiled wien2k sources.bellow you
will see the compiler option which I set for compiling the wien2k.
Current settings:
O Compiler options:-ffree-form -O2 -ffree-line-length-none
L
How many cores do you have, and what version of mpi are you using?
Running mpi with only 3 processes on one machine is almost certainly
not going to be efficient and for that just stay with non-mpi. With a
dual quadcore (8 cores) or more it can be, provided that the mpi
version you use optimizes
Dear WIEN users,
I am joining this thread as I have exacly the same problem right now.
Everything with the case works fine, SCF, DOS, densities etc. the only
failure is (im using the command line):
after successfully running lapw1 -band (and lapw2 -qtl -band optionally):
# x spaghetti
I have changed the case.insp file and put in the proper fermi energy.
I also tried using the files from a previous calculation that worked
properly on a different computer and I get the same error. I'm running
this on a Mac Pro with version 11.1 084 of the intel fortran compiler.
Please recompile with -O0 or with -C
Maybe another manifestation of a ifort compiler bug.
Am 26.04.2012 18:51, schrieb Georg Eickerling:
Dear WIEN users,
I am joining this thread as I have exacly the same problem right now.
Everything with the case works fine, SCF, DOS, densities etc. the
Hi,
So I recompiled spaghetti with -O0 and -C, both still result in the
same error as previously mentioned. The only change was using -O0 I
did not receive the ipo: warning #11015: Warning unknown option
-no_compact_unwind warning. I did still receive it using -C. Should I
recompile all of the
I think you can ignore the two warnings below in the shortened
compile.msg file for spaghetti that you sent me off the list.
I notice one thing that seems to be strange. It shows that you have -c
for a compile option, which prevents linking. Try changing it to the
upper case -C for runtime
also drop the -ip
then you may try again with otimization increase from -O0 to -O1 etc... to -O3
I have never seen the ipo warning on PC-Linux using 11.1.084, maybe its a MAC
specific problem of the compiler
Ciao
Gerhard
Dr. Gerhard H. Fecher
Institut of
Oddly, the compiler is adding the -c by itself. It is not explicitly
declared in the list of options. I'm unable to figure out why it's
doing that. Removing -ip and compiling with -O0...-O3 has the same
result as before.
I got to checking my linux system and -c (lowercase) in the compile.msg
is normal. Sorry about that.
Lion (Mac OS 10.7) is supported by the latest Update 10 release of
Fortran Composer XE 2011 for Mac OS X. Until you update, your on your
own because quoting Intel:
Compilers versions 11.1 and
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