Search found 4 matches

by tgurel
Sun Jul 04, 2010 6:36 am
Forum: Response calculations
Topic: [SOLVED] a new error
Replies: 1
Views: 2615

Re: a new error

outwf : write wavefunction to file tmrf1_xo_DS3_1WF1
forrtl: No space left on device


Probably your hard disk is full.

Tanju
by tgurel
Wed May 05, 2010 7:38 pm
Forum: Response calculations
Topic: [SOLVED] RF calculation stops when increase ecut
Replies: 2
Views: 3285

Re: RF calculation stops when increase ecut

Dear all, Thanks to the post of forum member mancini http://forum.abinit.org/viewtopic.php?f=17&t=257&start=0 I compiled IFORT with the flags: FCFLAGS_EXTRA="-heap-arrays 1024" CFLAGS_EXTRA="-heap-arrays 1024" and the problem is solved. Sorry to take your time. Best, Tanju
by tgurel
Wed May 05, 2010 8:52 am
Forum: Response calculations
Topic: [SOLVED] RF calculation stops when increase ecut
Replies: 2
Views: 3285

Re: RF calculation stops when increase ecut

Hello again,

I have compiled abinit603 with gfortran and it worked. It is said
to be gfortran is slower than ifort.

Any idea why my problem occurs in ifort?

Thanks
Tanju
by tgurel
Tue May 04, 2010 8:52 pm
Forum: Response calculations
Topic: [SOLVED] RF calculation stops when increase ecut
Replies: 2
Views: 3285

[SOLVED] RF calculation stops when increase ecut

Dear Abiniters, I do some gamma point phonon calculation. Abinit runs well with ecut 60 Ha but stops when increasing to ecut 70 Ha with the following error in the phonon perturbation dataset. Abinit 6.0.3 has been compiled with ifort and uses openmpi Same problem does not occur in the sequential ver...