Dear all,
I want to use the exchange-correlation potential from Berland and Per
Hyldgaard (PRB 89, 035412 (2014)) to work with layered materials. This has been
implemented on the trunk-462 version of the code.
There is a reproducible error in my calculations related to the parsing module
related to generating filename strings. The error is:
*************************************************************
ERROR
PARSE module: reals: Not enough reals in line
File: parse.F90
Line: 596
*************************************************************
Stopping Program
*************************************************************
The error has been reproduced on three different architectures, and with the
following mpi/compiler/linear algebra libraries:
intel 14.0.3
mkl 14.0.3
mvapich2 2.1
and
gcc 4.5.0
gotoblas2
openmpi 1.4.2
I've compiled all in debug mode and the error persist. I am wondering if there
a fix available.
Thank you!
-Salvador