[Wien] lapw0 problem after supercell

[=?iso-2022-jp?B?GyRCMiZaXxsoQg==?=]

Dear all:

    Recently I am focusing the doping using supercell. I used test material
GaAs(216_F-43m) to create a supercell: 2*2*2.

After replaced one As with P and initiated with no problem. I ran the
run_lapw, but the programs stopped in the first iteration and gave the
message:

cat: No match.

In gaas.dayfile

on reed with PID 14149

 

    start       (Mon May  8 17:04:27 JST 2006) with lapw0 (20/20 to go)

 

    cycle 1     (Mon May  8 17:04:27 JST 2006)  (20/20 to go)

 

>   lapw0 -p    (17:04:27) starting parallel lapw0 at Mon May  8 17:04:27
JST 2006

--------

running lapw0 in single mode

Segmentation fault (core dumped)

**  lapw0 crashed!

 

In lapw0.error

**  Error in Parallel lapw0

**  lapw0 STOPPED at Mon May 8 17:05:04 JST 2006

**  check ERROR FILES!

 

I noted that only gaas.scf0, gaas.output0, core were generated. But no gaas.
vsp and gaas.vns.

I use the WIEN2k_05. and compile options are:

. -FR -mp1 -w -pad -ip -unroll0 -DINTEL_VML

-Vaxlib -static -lcxa -pthread

-L /opt/intel/mkl72cluster/lib/64 -lmkl_lapack -lmkl_ipf -lmkl_solver
-lguide

 

My .machines file is:

1:reed

1:reed

1:rs01

1:rs01

granularity:1

 

My script limit results:

cputime         unlimited

filesize        unlimited

datasize        unlimited

stacksize       8192 kbytes

coredumpsize    unlimited

memoryuse       unlimited

descriptors     1024

memorylocked    unlimited

maxproc         8127

openfiles       1024

 

I have checked the archives and got no information.

Any hints will be welcome.

Thank you very much.

 

Hao

 

 

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