[SIESTA-L] [Fwd: different results with serial and parallel installation]

[Hoa G. Nguyen]

Hi everybody,

I'm new with SIESTA. I tested an optimization of H2O with both serial and
parallel using the same .fdf and .psf file. Funny thing happened when they
give total different results. The serial version seems correct.

Could someone has a look at this. The .fdf, .out and .ANI files are attached.

Thanks.

Hoa Nguyen
Department of Chemistry
University of Utah

h2o.fdf
Description: application/vnd.fdf

h2o_parallel.ANI
Description: Binary data

h2o_parallel.out
Description: Binary data

h2o_serial.out
Description: Binary data

h2o_serial.ANI
Description: Binary data