[Pw_forum] electron phonon error
Aritz Leonardo
swblelia at sw.ehu.es
Tue Jan 25 12:15:01 CET 2005
Hello:
I am running an electron-phonon calculation for Mg bulk.
I am using an alpha machine with the following caracteristics:
Operating System: Tru 64 Unix 5.1
f90 compaq compiler (5.5)
Every thing runs nicely until the second "nscf" calculation needs more
than 9999 points. Then the program stops without aborting generating
this output:
k(****) = ( -0.3333333 -0.5773503 -0.3080715), wk = 0.0001578
k(****) = ( -0.2333333 -0.3673503 -0.1567263), wk =
0.0000000
G cutoff = 79.9791 ( 4187 G-vectors) FFT grid: ( 18,
18, 30)
nbndx = 24 nbnd = 6 natomwfc = 8 npwx = 549
nelec = 4.00 nkb = 2 ngl = 256
The initial potential is read from file mg.pot
Starting wfc are atomic
and this error:
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 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 [0x3ff81ad7d0c]
4: __FINI_00_remove_gp_range [0x3ff81ac9bcc]
5: __FINI_00_remove_gp_range [0x3ff81aaf3c0]
6: __FINI_00_remove_gp_range [0x3ff81a6de38]
7: __FINI_00_remove_gp_range [0x3ff81a76a20]
8: __FINI_00_remove_gp_range [0x3ff800d5b90]
9: WFCINIT_K
To compile the program I used :
./configure --disable-parallel --enable-shared
make all
All I can say is that it is not a disk space problem and repeat that it
only happens when the number of k points is bigger than 9999 points.
I attached the input.
Thank you very much
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