[CPMD-list] Questions: CPMD make warning & run anomally(?)

[Axel Kohlmeyer]

On Mon, 21 Mar 2005, John Kofi Dogbe wrote:


dear john,

JD> Dear Dr. Axel,
JD> 
JD> Problem persists.

i have now installed the latest intel EM64T compiler on a machine
and can reproduce the error message. as far as i can tell, it is
a problem with the handling of character constants, that i have seen
elsewhere occasionally with several versions of the intel compilers.

as a temporary workaround, i suggest you try replace the line 
        CALL STOPGM('FILEOPEN','UNKNOWN FILE STATUS')
with
        OPEN(UNIT=IUNIT,FILE=FILEN(IA:IE),STATUS=STATUS)


axel.

JD> 
JD> On Sun, 20 Mar 2005, Axel Kohlmeyer wrote:
JD> 
JD> > JK> > JKD> PROGRAM STOPS IN SUBROUTINE FILEOPEN| UNKNOWN FILE STATUS
JD> > JK> > JKD> 999
JD> > JK> >
JD> 
JD> >
JD> > hmmmm. weird. please try the attached version of fileopen.F instead.
JD> > there have not been many changes to tht code recently...
JD> > if it still does not work, please send me your preprocessed fileopen.f
JD> > file, your input file and the version of the compiler you are using.
JD> >
JD> 
JD> Please find attached the file(s) you requested.
JD> The input is your tutorial input file for ammonia (geometry
JD> optimization) using the vanderbilt uspp.
JD> I'm using the intel fortran compiler ... the following is the result of
JD> ifort -V:
JD> 
JD> Intel(R) Fortran Compiler for Intel(R) EM64T-based applications, Version 8.1
JD> Build 20050203 Package ID: l_fce_pc_8.1.025
JD> Copyright (C) 1985-2005 Intel Corporation.  All rights reserved.
JD> FOR NON-COMMERCIAL USE ONLY
JD> 
JD> Thank you.
JD> John
JD> --
JD> **The first is not necessarily the Leader**
JD> 
JD> 	"If I have spoken evil, bear witness of the evil:
JD> 		but if well, why smitest thou me?"
JD> 				-- Jesus Christ (John, 18:23)

-- 

=======================================================================
Dr. Axel Kohlmeyer   e-mail: axel.kohlmeyer at theochem.ruhr-uni-bochum.de
Lehrstuhl fuer Theoretische Chemie          Phone: ++49 (0)234/32-26673
Ruhr-Universitaet Bochum - NC 03/53         Fax:   ++49 (0)234/32-14045
D-44780 Bochum  http://www.theochem.ruhr-uni-bochum.de/~axel.kohlmeyer/
=======================================================================
If you make something idiot-proof, the universe creates a better idiot.