error: "Numerical result out of range"

[Payal Kaura]

Dear Dirac experts,

While running the IH-FSCC job on NpO2(+), I am experiencing the following error at the integral transformation step-

"

………..

 ====  below this line is the stderr stream  ====

forrtl: Numerical result out of range

forrtl: severe (38): error during write, unit 71, file /scratch/BUFF1XXXX2

Image              PC                Routine            Line        Source

libirc.so          00002AD85B917A1E  Unknown               Unknown  Unknown…….."

I am not sure why this is happening.

 

Initially for a number of trials, the integral transformation step just hangs forever without killing the job or giving any error and after running them again and again if by chance it tries to go through that step then it gives the above error. I have ran few IH-FSCC jobs before as well (with older version of Dirac) but have never experience this.

I am attaching the output file here.

Please give me suggestions to how to deal with this.

Thanks very much.

Best regards.

--
Payal Kaura

Washington State University

Pullman-99163

USA

[Payal Kaura]

[Hans Jørgen Aagaard Jensen]

Dear Payal,

I have a guess for what happens. Would you try and make this change in the file …/src/gp/gpluuk.F :

@@ -1288,7 +1288,7 @@ C

 C     The opening of a file is a bit tricky in FORTRAN, pray that the unit

 C     is not yet in use....

 C

-      WRITE (NAME,'(A4,I1)') 'BUFF',I_FILE

+      WRITE (NAME,'(A3,I2.2)') 'BUF',I_FILE

       FNODE = LFNAM(NAME)

       LGFIL = I_BF_UNIT+I_FILE

and try again? And let me know if it works or not.

— Hans Jørgen.

PS. My guess is that your job exceeded the hard-wired maximum of nine buffer files.

___________________________________________

  Hans Jørgen Aagaard Jensen

  Department of Physics, Chemistry and Pharmacy
  University of Southern Denmark
  Odense, Denmark

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[Payal Kaura]

Hello Prof. Jørgen,

Thank you so much for your kind reply. It was extremely helpful.

The IH-FSCC job is going through the integral transformation step successfully after I tried what you have suggested.

Best regards.

-Payal