Dear Friends,I am trying a vc-relax on a 320 atom supercell on a 40
processor/256 GB RAM system. As soon as the first iteration starts, run is
terminated with following message.mpi has noticed that process rank 14 with PID
25185 n node Linux-mix excited on signal 9 (killed).With increasing num
Huh...ok.. making ./pseudo/ and putting it in there worked...but now the tests
run, and every single one of them fails immediately.
It looks like it's not trying to do anything.
Every test produces:
Different sets of data extracted from benchmark and test.
Data only in benchmark: s1,v1
I have /both/ curl and wget working, making this especially curious. I have a
working internet connection that was sufficient to download and then build QE
6.2.1, I assume that's 'direct' enough.
Can I just set $ESPRESSO_PSEUDO to the directory I have the pseudo potential in?
The test suite do
On Fri, Dec 22, 2017 at 7:03 PM, Downs, Andrew S CTR USARMY ARL (US) <
andrew.s.downs3@mail.mil> wrote:
The test suite fails on 'make run-tests' stating that it can't download a
> pseudo potential with an incredibly obtuse name (who names these??)
>
me: http://www.quantum-espresso.org/pseudop
Thanks very much for this important information.
Best regards,
Feng
>See this note in file Doc/release-notes:
>
> * Some constants in the definition of PBE functionals were truncated to
>6 significant digits. While not a bug, this could lead to tiny
differences
>with respect to previous
Hello,
I've just compiled QE 6.2.1 on my laptop, for the sake of making sure it works,
I want to run the test suite.
The test suite fails on 'make run-tests' stating that it can't download a
pseudo potential with an incredibly obtuse name (who names these??)
O.pz-rrkjus.UPF failed to download
Dear Lorenzo , Dear Seitsonen Thank you very much. Actually what I am
trying to find is to Where do the excess e- prefer to stay in my water
system ?
I have crossed 50 BFGS steps but still it could not find the minimum.
The Force is fluctuating very much .I have applied 90 Ry with a pseudo
potent
