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

[John Kofi Dogbe]

On Fri, 18 Mar 2005, Axel Kohlmeyer wrote:

> please find attached the 'official' configuration files from  cpmd v3.9.2.

Is cpmd v3.9.2 released officially? I can only access the older versions.

> yes and no. the program should still work correctly. however performance
> is affected. pointers should be aligned on certain address boundaries,
> but since in fortran common blocks are required to be tightly packed
> and must not contain any padding, the compiler cannot fulfil this
> requirement if there is an odd number of integer or logicals in front
> of the pointer in the common. cpmd v3.9.2 should have these fixed though.

I have already started worrying about this because I run a small job using
that binary and I got the following error:

PROGRAM STOPS IN SUBROUTINE FILEOPEN| UNKNOWN FILE STATUS
999

I guess this could be one of the many things wrong with the compilation,
right? Any ideas if I can still use my old login and password to access
newer versions of cpmd?

> the file wrener.F is supposed to be compile without optimization on
> SIG machines. perhaps you have/had a miscompiled cpmd binary.

I see. I actually did not compile this myself. I had problems running my
own binaries and it was Dr. Ari S. who was kind enough to provide me with
the binaries. In any case, I'll be retiring that machine soon after I move
all the necessary programs to my new cluster.

Thanks a lot (to Dr. Axel K.) for the explanations.
Greetings.
John
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