[Pw_forum] segmentation fault when using pwcond.x

[Wang Qinjing]

Dear all:

I am using pwcond.x to calculating the transimission of a system. The pwcond.x is compiled by openmpi 1.1.4. The pwcond.x was tested and confirmed get the same results as the example 12.

I wrote the input file just follow the example 12. The necessary files from the scf calculation is in the directory ./outdir. The input file is as follows:

--------------
 &inputcond
    outdir='./outdir',
    prefixl='lead',
    prefixs='scattering',
    tran_file='trans.file',
    ikind = 1,
    energy0=3.d0,
    denergy=0.d0,
    ewind=4.d0,
    epsproj=1.d-2,
    nz1 = 1,
 /
    1
    0.0  0.0  1.0
18
  3.0
  2.7
  2.5
  1.6
  1.0
  0.9
  0.1
  0.0
 -0.1
 -0.25
 -1.15
 -1.45
 -1.9
 -3.0
 -4.0
 -5.0
 -6.0
 -6.2
---------------------

After I typed the command "pwcond.x < cond.in ", the last line of the standard out is as follows:

-----------------------
        k(    1) = (   0.0000000   0.0000000), wk =   1.0000000

 ngper, shell number =          537         108
Signal:11 info.si_errno:0(Success) si_code:1(SEGV_MAPERR)
Failing at addr:0x98f7e70da0
[0] func:/opt/mpi/ifort/openmpi-1.1.4/lib/libopal.so.0 [0x2a9588366a]
[1] func:/lib64/tls/libpthread.so.0 [0x31c8e0c420]
[2] func:pwcond.x(local_1_+0x110e) [0x478778]
[3] func:pwcond.x(local_+0xab6) [0x474fdc]
[4] func:pwcond.x(do_cond_+0x8ed) [0x45a565]
[5] func:pwcond.x(MAIN__+0x48) [0x4584b4]
[6] func:pwcond.x(main+0x2a) [0x44c2a2]
[7] func:/lib64/tls/libc.so.6(__libc_start_main+0xdb) [0x31c851c4bb]
[8] func:pwcond.x(free+0x52) [0x44c1ea]
*** End of error message ***
Segmentation fault
-----------------------

What may the problem be?

Thank you in advance.

Yours Wang




------------------------------------
王秦镜，复旦大学物理系研究生
Wang Qinjing, Physics Department, 
Fudan University
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