[Smeagol-discuss] compiling problem, TRCs are zero

[xiaobing.feng at ipcms.u-strasbg.fr]

Dear everyone,

I'm trying to compile Smeagol on a big cluster.
I used local ifort, mpif90 to compile scalapack,lapack,blacs, blas libraries.
The code went well for leads calculation and self-consistent convergence,
however, the transport results are strange, the transmission coefficients
are zeroes.

The cluster used Infiniband for communication and SLURM/srun for submitting
jobs. I also tried to use my own ifort, mpich, libraries. But, I could not
submit the job. For mpich I used device=ch_p4, arch=LINUX, I don't know
how to correctly configure mpich for Infiniband, probably not possible ?

Could anybody advise me on this issue?

Many thanks in advance!
Best regards,

Xiaobing



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