[Pw_forum] execution error

[Aritz Leonardo]

Hello:

 

I wonder if you could help with an execution error of PWscf. 

 

I am performing a Lambda calculation for magnesium and whenever the output of nscf has more than 9999 k-points (see below) The program stops without aborting the process.

 

Helpful data:

I am running on a Alpha server GS1280 with 8 cpu-s 1,2 Ghz. 10Gb RAM and has Tru64 Unix 5.1

 

This is the error file.

 

stty: tcgetattr: Not a typewriter

forrtl: error (72): floating overflow

   0: __FINI_00_remove_gp_range [0x3ff81a6de38]

   1: __FINI_00_remove_gp_range [0x3ff81a76a20]

   2: __FINI_00_remove_gp_range [0x3ff800d5b90]

   3: WFCINIT_K ldreadst: WARNING iline index(817112) exceeds ilineMax(817112)

forrtl: error (78): process killed (SIGTERM)

   0: __FINI_00_remove_gp_range [0x3ff81a6de38]

   1: __FINI_00_remove_gp_range [0x3ff81a772c0]

   2: __FINI_00_remove_gp_range [0x3ff800d5b90]

   3: __FINI_00_remove_gp_range [0x3ff81ac9bcc]

   4: __FINI_00_remove_gp_range [0x3ff81aaf3c0]

   5: __FINI_00_remove_gp_range [0x3ff81a6de38]

   6: __FINI_00_remove_gp_range [0x3ff81a76a20]

   7: __FINI_00_remove_gp_range [0x3ff800d5b90]

   8: WFCINIT_K ldreadst: WARNING iline index(817112) exceeds ilineMax(817112)

 

This is the output file of the non-self consistent calculus:

 

        k(9997) = (   0.2777778  -0.4169752   0.0000000), wk =   0.0003429

        k(9998) = (   0.4444445  -0.0641500   0.1026905), wk =   0.0000000

        k(9999) = (  -0.2777778  -0.4169752   0.0000000), wk =   0.0003429

        k(****) = (  -0.1111111  -0.0641500   0.1026905), wk =   0.0000000

        k(****) = (   0.5000000  -0.0320750   0.0000000), wk =   0.0003429

        k(****) = (   0.6666667   0.3207502   0.1026905), wk =   0.0000000

 

Thank you very much!!

 

 

Aritz Leonardo ---> swblelia at sw.ehu.es 

Phd, student at Donostia International Physics Center

phone (+34) 943015626)

 
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