Indeed Nick, my fourth block was defined as an integer. Fixed, and working fine now.
Thanks! -Salvador ________________________________ From: [email protected] <[email protected]> on behalf of Nick Papior <[email protected]> Sent: Thursday, September 17, 2015 2:39 PM To: [email protected] Subject: Re: [SIESTA-L] Error (parse.f?) on siesta-trunk-462 parse.F90 is a routine used to "parse" fdf input, hence you have an error in your fdf input file. I would suspect your kgrid_monkhorst_pack grid to be ill-defined. I guess you have %block kgrid_monkhorst_pack <int> <int> <int> 0 <int> <int> <int> 0 <int> <int> <int> 0 %endblock which in reality should be %block kgrid_monkhorst_pack <int> <int> <int> 0. <int> <int> <int> 0. <int> <int> <int> 0. %endblock *NOTE* the additional dot after 0. 2015-09-17 19:02 GMT+00:00 Salvador Barraza-Lopez <[email protected]<mailto:[email protected]>>: 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 -- Kind regards Nick
