Re: [Wien] Small issue in W2WEB of WIEN2k_14

2014-09-12 Thread Peter Blaha
I can verify this bug: Fix: In SRC_w2web/htdocs/exec modify in dos.pl and optic.pl all: CASE.in1$compl intoCASE.in1$filec (3 changes in the file). On 09/12/2014 04:19 PM, Fecher, Gerhard wrote: Hi Peter under Tasks DOS is a new field OPTIONS in Edit case.in1 it does not recognize a c

[Wien] Small issue in W2WEB of WIEN2k_14

2014-09-12 Thread Fecher, Gerhard
Hi Peter under Tasks DOS is a new field OPTIONS in Edit case.in1 it does not recognize a complex case it searches for in1 and not for in1c the result for a complex case is System Error Can't read file //home/someone/Wien2k/case/case.in1. Ciao Gerhard DEEP THOUGHT in D. Adams; Hitchhikers Gu

Re: [Wien] Syntax ERROR in WIEN2k_14 ??

2014-09-12 Thread Zhu, Jianxin
Hi Gerhard, I didn't have this problem with version xe_2013.5.198, a little newer than 5.192. However, the use of !! for lines 575 and 4656 is even better. Thanks, Jianxin On 9/12/14 7:48 AM, "Fecher, Gerhard" wrote: >Peter, thanks >!! helps > >but I will also try to use a newer version o

Re: [Wien] Syntax ERROR in WIEN2k_14 ??

2014-09-12 Thread Fecher, Gerhard
Peter, thanks !! helps but I will also try to use a newer version of the compiler Ciao Gerhard DEEP THOUGHT in D. Adams; Hitchhikers Guide to the Galaxy: "I think the problem, to be quite honest with you, is that you have never actually known what the question is." =

Re: [Wien] Syntax ERROR in WIEN2k_14 ??

2014-09-12 Thread Peter Blaha
in this subroutine lap_pb.f at lines 575 and 46 there is: !$ DOACROSS Local ... Which seems to be a leftover from an parallelization direction. I'd suggest to put another ! in front: !!$ DOACROSS Local ... Please let me know if this fixes the problem. On 09/12/2014 09:33 AM, Fecher, Gerhard

[Wien] Syntax ERROR in WIEN2k_14 ??

2014-09-12 Thread Fecher, Gerhard
To whom it concerns, The following error occurs when using composer XE 2013.5.192 Compile time errors (if any) were: SRC_lapwso/compile.msg:lap_bp.f(575): error #5082: Syntax error, found IDENTIFIER 'LOCAL' when expecting one of: ( % [ : . = => SRC_lapwso/compile.msg:lap_bp.f(4656): error #5082: