[CPMD-list] Sorry to ask the old question about fileopen.F

[Axel Kohlmeyer]

On Fri, 4 Nov 2005, Yang Zhenyu wrote:

YZ>  Dear CPMD users:

dear yang,

YZ> I am sorry to ask the same question again about the fileopen.F. As I
YZ> experienced problems calculating localized orbitals(Xeron-redhat
YZ> 9.0-Intel Fortran compiler 9.0), I upgraded CPMD (3.9.2)with the
YZ> recent patch (from Axel, JUN 1st, 2005). I have read the maillist
YZ> before. Many people have get this problem solved by the above steps.

please try the following:
please use a clean 3.9.2 version of cpmd (i.e. don't apply the patch)
and only replace the  file fileopen.F with the attached one (after you 
have uncompressed it with gunzip). that should fix the same problem in a 
simpler way.


and then you do a recompile (via:  "make clean ; make"). 
let me know, if that still does not help.

regards,
    axel.

YZ>       But I still met the problem " 
YZ> STOPGM! STACK OF MAIN CALLS:
YZ> STOPGM! CALL LOCALIZE
YZ> PROGRAM STOPS IN SUBROUTINE FILEOPEN| UNKNOWN FILE STATUS".
YZ>    
YZ>  	 Can anyone tell me how to solve this problem?			
YZ>      At the tail of this email, I attach the fileopen.F(after patched) and part of the Makefile in my linux-pc.

btw.: please don't repost files if they have appeared on cpmd-list.
on top of that, in this special case it is useless, since the patch
i posted touches many files and if there was a problem, it might be
just as well in one of those. the fact that a program stops in a 
specific subroutine does not automatically mean, that the problem 
is located there!


[...]
YZ> ¡¡¡¡¡¡¡¡¡¡¡¡¡¡
YZ> ¡¡Best Regards
YZ> 
YZ> ¡¡Yang Zhenyu				
YZ>   State Key Laboratory of Nonlinear Mechanics (LNM)
YZ>   Institute of Mechanics, Chinese Academy of Sciences
YZ>   No.15 Beisihuanxi Road
YZ>   Beijing 100080, P. R. China
YZ>   FAX: 010-62579511
YZ> ¡¡yangzy at lnm.imech.ac.cn
YZ> ¡¡2005-11-04
YZ> 

-- 
=======================================================================
Axel Kohlmeyer  e-mail: akohlmey at cmm.upenn.edu, web: www.cmm.upenn.edu
   Center for Molecular Modeling   --   University of Pennsylvania
Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
tel: 1-215-898-1582,  fax: 1-215-573-6233,  office-tel: 1-215-898-5425
=======================================================================
If you make something idiot-proof, the universe creates a better idiot.
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