Dear WIEN2k user:
I am using wien2k_14.2 on CentOS release 5.8. ifort version 12.1.3 with MKL.
After generating a 2x2x1 supercell with 30 atoms, I tried to do the scf
calculation. However, I got some errors. I'v attached it at the end of this
email. My wien2k was installed correctly. It
You have what is called a Segmentation Violation which was detected by 4
of the nodes and they called an error handler which stopped the mpi job on
all the CPU's.
This is normally because you have an error of some sort in your input
files, any of case.in0, case.clmsum (and clmup/dn if you are
Dear sir,
Mostly I also get the same problem, what I do, leave the struct . file and
again do the initialization and then it's run well.
Regards
On 28 Jul 2015 21:25, Lan, Wangwei wl...@my.fsu.edu wrote:
Dear Professor Marks:
I've check everything you have mentioned, they are all fine,
Your options are probably wrong:
a) mpif90 is normally gfortran, the Intel version is mpiifort
b) It is easy to use the wrong linking with the Intel mkl libraries. Please
provide the information I requested.
On Tue, Jul 28, 2015 at 2:55 PM, Lan, Wangwei wl...@my.fsu.edu wrote:
Dear
You have the wrong blacs for openmpi, please use the Intel link advisor I
sent to work out what you need. It looks like you may need static linking
with openmpi.
I am certain that you misread the email about -C -g, it will only
diagnose problems and will in general create problems (and make the
Dear Professor:
When I type mpif90 --version, it give me ifort (IFORT) 12.1.3 20120212.
So, I thought it should work.
My Libraries linking are listed below:
Parallel excution:
FFTW_LIB + FFTW_OPT: -lfftw3_mpi -lfftw3 -L/opt/fftw3.3.3/lib +
-DFFTW3 -I/opt/fftw3.3.3/include
What mpi are you using, e.g. openmpi, impi, mvapich?
On Tue, Jul 28, 2015 at 3:28 PM, Lan, Wangwei wl...@my.fsu.edu wrote:
Dear Professor:
When I type mpif90 --version, it give me ifort (IFORT) 12.1.3
20120212. So, I thought it should work.
My Libraries linking are listed below:
N.B., unless you are a code developer -C -g are a terrible idea. Remove
them, they may easily lead to the code crashing. Replace them by just -O1
On Tue, Jul 28, 2015 at 3:28 PM, Lan, Wangwei wl...@my.fsu.edu wrote:
Dear Professor:
When I type mpif90 --version, it give me ifort (IFORT)
Dear professor:
I use Open MPI, version 1.4.5.
I added -C -g because some people in the mail-list said it probably will
solve the problem.
Thanks for your advice, I will recompile the package soon.
Sincerely
Wangwei
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