The ABINIT Users Mailing List ( CLOSED )

["Artem R. Oganov" <a.oganov@mat.ethz.ch>]

Dear all, I tried to send this message yesterday, but it seems that it
didn't get through - apologies if you receive it twice:


Dear ABINITioners,

I have compiled ABINIT4.0.3 on an HP machine (PA8600 CPU) and the log
file of the compilation doesn't show any warnings or errors. However,
the internal tests fail completely; the error message is: 
"cat: Cannot open test1_STATUS: No such file or directory".

For other tests, the following message appears:

"iofn2 : deduce mpsang  =   1, n1xccc  =****.
invars1m : enter jdtset=     0
invars2: ERROR -
The array znucl MUST be initialized in the input file, while this is not
done.
Action : initialize znucl in your input file.
leave_new : decision taken to exit ..."

This message appears in:
Test_fast - all tests
Test_v1 - tests 1-58, 63, 71-73, 79, 81, 82, 85, 86, 97-99
Test_v2 - tests 2, 12

In fact, in all these tests znucl WAS specified. However, this message
doesn't appear, for instance, in any of the tests in Test_v3. 

I have also compiled ABINIT3.4.3, which fails tests as well, but instead
of blaming 'znucl' it only dumps large core files. There must be a
problem with the compiler, libraries, or something else - but as there
is no error message on compilation, I don't know what exactly is going
wrong. Perhaps somebody had similar situations and knows how to solve
them. I would be very grateful for any suggestions. 

With my best regards,

Artem
************************
Dr. Artem R. Oganov
Lab. of Crystallography
Department of Materials
ETH Zurich
CH-8092 Zurich
Switzerland
Tel.: +41-1-632-3752; Fax: +41-1-632-1133
E-mail: a.oganov@mat.ethz.ch
Website: http://olivine.ethz.ch/~artem
************************