[Pw_forum] turbo_lanczos.x returns error

[SungHwan Choi]

Dear all,
I had originally work fine with turboTDDFT package. I recently change the
machine and install 5.4.0 version. pw.x looks okay but for lanczos
calculation  I faced the error. It seems easy problem but I cannot solve
it. error message from turbo_lanczos is


     Subspace diagonalization in iterative solution of the eigenvalue
problem:
     a serial algorithm will be used


     Warning: There are virtual states in the input file, trying to
disregard in response calculation

     Normal read

     Gamma point algorithm

     LANCZOS LINEAR-RESPONSE SPECTRUM CALCULATION

     Number of Lanczos iterations =   1500

     Starting Lanczos loop        1

     Lanczos iteration:      1   Pol:1
     lr_apply_liouvillian: not applying interaction
     alpha(00000001)=  0.000000
     beta (00000001)=  3.859102
     gamma(00000001)=  3.859102
     z1=       1  0.000000000000000E+00  0.000000000000000E+00
     z1=       2  0.000000000000000E+00  0.000000000000000E+00
     z1=       3  0.000000000000000E+00  0.000000000000000E+00

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     Error in routine davcio (22):
     error while writing from file
"/home/udg2/kse/test_shchoi/./out/Benzene.restart_lanczos.11"
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     stopping ...

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     Error in routine davcio (22):
     error while writing from file
"/home/udg2/kse/test_shchoi/./out/Benzene.restart_lanczos.12"
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%


I think writing error on out directory but I pw.x calculation was finished
well.
here is input file for this result


&lr_input
  prefix = 'Benzene',
  outdir = './out',
  restart_step = 250,
  restart = .false.,
/
&lr_control
  itermax = 1500,
  ipol = 4
/


It should work. but I don't know why it does not work. I check there is
enough space on the disk. If you have some pieces of advice, please let me
know
Sincerely
Sunghwan Choi


========================================
Sunghwan Choi
Ph.D candidate
Computational Quantum Molecular Science Lab
Department of Chemistry, KAIST, Republic of Korea
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20160728/448f0d1a/attachment.html>