Auftrag von quot;Gavin Abo [gsabo at
crimson.ua.edu]
Gesendet: Freitag, 9. September 2011 14:47
Bis: wien at zeus.theochem.tuwien.ac.at
Betreff: Re: [Wien] x xspec runtime error
Dr. Fecher,
Oops, you are right. My logical expression was not correct. It should
have been a less than or equal (i
:47
Bis: wien at zeus.theochem.tuwien.ac.at
Betreff: Re: [Wien] x xspec runtime error
Dr. Fecher,
Oops, you are right. My logical expression was not correct. It should
have been a less than or equal (i .LE. IEMAX .or. .NOT. EOF(32)).
However, I would use your logical expression
at zeus.theochem.tuwien.ac.at [wien-bounces at
zeus.theochem.tuwien.ac.at]quot; im Auftrag von quot;Gavin Abo [gsabo at
crimson.ua.edu]
Gesendet: Donnerstag, 8. September 2011 18:14
Bis: wien at zeus.theochem.tuwien.ac.at
Betreff: Re: [Wien] x xspec runtime error
First, Dr. Marks, thanks for your
at
zeus.theochem.tuwien.ac.at]quot; im Auftrag vonquot;Gavin Abo [gsabo at
crimson.ua.edu]
Gesendet: Donnerstag, 8. September 2011 18:14
Bis: wien at zeus.theochem.tuwien.ac.at
Betreff: Re: [Wien] x xspec runtime error
First, Dr. Marks, thanks for your explanation on the -check bounds option.
It was in my compiler
. September 2011 02:04
Bis: wien at zeus.theochem.tuwien.ac.at
Betreff: [Wien] x xspec runtime error
Dear Dr. Blaha and Wien2k users,
When running x xspec, I get the error shown below. It looks like there is an
infinite loop from lines 170 to 180 in txspec.f that causes an array index to
go out
It should not happen ! Which compiler are you using ? Again one of the
very new ifort 12.1 versions ?? (See ifort bugs in previous emails)
The dimension is read from unit 32, and then it tries to read as many lines
READ (32,4712) IEMAX
allocate ( A1(NRAD,IEMAX),
Hi Dr. Blaha,
It happened with composerxe-2011.3.174. I thought it was a ifort 12 bug
too. However, it also happened with ifort 11.1 update 9. I have since
went back to composerxe-2011.3.174. I found that it only happens if you
compile with the -check bounds option. I guess with the -check
Dear Dr. Blaha and Wien2k users,
When running x xspec, I get the error shown below. It looks like there
is an infinite loop from lines 170 to 180 in txspec.f that causes an
array index to go out of the upper bound, but I don't have much Fortran
experience. Should there be a condition
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