Thanks for the hint. In fact the siesta user wasted my time too!! :/ Regards, Mahmood
On Sun, Jul 22, 2018 at 11:13 PM, Renfro, Michael <ren...@tntech.edu> wrote: > You’re getting the same fundamental error in both the interactive and > batch version, though. > > The ‘reinit: Reading from standard input’ line seemed off, since you were > providing an argument for the input file. But all the references I find to > running Siesta in their manual (section 3 and section 16) show something > more like: > > mpirun -np 4 /share/apps/chem/siesta-4.0.2/spar/siesta < > dimer1prime.fdf > dimer1prime.out > > and those examples line up with the idea that Siesta reads its commands > from standard input, not by literally opening an input file specified as a > command-line argument. > > If the version of the command using < and > works correctly, then it’s > definitely not a Slurm issue, it’s an issue with how you invoked Siesta. >
