Compiler_ifort_problem(?): forrtl severe (29) file not found, unit 88

bcramer · 07-07-2012, 06:12 PM

Hi
I am running a script file which is part of a program (called SAPT) which also runs Dalton-2.0 as a first step of the calculation.
I received the following output massage:
forrtl: severe(29): file not found, unit 88, file /home/.../.../.../He2/SIRIUS.RST
Image PC Routine Line Source
daltintf 080BA759 Unknown Unknown Unknown
etc...............(see file **.ifort attached).......

The correct output file should write 'he2_9.out' but it writes'he2_9.out.ifort'
Dalton-2.0 and SAPT were compiled with the same Intel compiler (ifort) as recommended. Both programs were already tested without errors when used independently.
Using the executable script file I receive the errors above. I suppose that this is a compilation problem.

Files attached for complementary information.

Can somebody please help me out?
Thank you
Regards
Bruno

makyo · 07-22-2012, 06:57 PM

Hi.

At a quick glance, the definition for MACHINE was commented out:

Code:

#MACHINE=p4

but it was used in a few places later in the script. If MACHINE was an environment variable, then the script would have used that value.

Best wishes ... cheers, makyo