Dear all,
It has been almost 1 month since I have been tried to make parallel
calculations.
Im working on
model : SUN Blade 6275 clusters
Processor: Intel Xeon X5570
CPU/node : 8cpu
Memory : 24GB/node, 3GB/core
Network: Infiniband 40G 8X QDR
Operation: Redhat Enterprise Linux 5.3
Job control :
Dear all,
I constantly got following error messages when the parallel job was submitted.
I attach it.
Also the generated .machines file attached, please check whether it is properly
generated or not. I intended 24 k-point parallelized job.
The compiler version is
fortran : ifort, 12.0
Dear all,
(I'm sorry, I forgot to attach file which including error message and job
script files)
I constantly got following error messages when the parallel job was submitted.
I attach it.
Also the generated .machines file is attached, please check whether it is
properly generated or not. I
Dear all,
I have some question on calculation including spin-orbit coupling (SOC).
In according to the manual, the second-variational procedure requires to
include many more unoccupied states to be calculated. And it can be controlled
by increasing the energy maximum (Emax) which eigenvalues
Dear all,
I have some question on calculation including spin-orbit coupling (SOC).
In according to the manual, the second-variational procedure requires to
include many more unoccupied states to be calculated. And it can be controlled
by increasing the energy maximum (Emax) which eigenvalues
Dear all,
I have some question on calculation including spin-orbit coupling (SOC).
In according to the manual, the second-variational procedure requires to
include many more unoccupied states to be calculated. And it can be controlled
by increasing the energy maximum (Emax) which eigenvalues
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