BSE wrong dimension error  [SOLVED]

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BSE wrong dimension error

Postby wxiaom86 » Fri Dec 08, 2017 4:21 pm

Hello,

I am experiencing the following error when I do BSE calculations with model dielectric function. I am using the direct diagonalization method. Anyone knows how to solve the problem?

--- !ERROR
src_file: m_exc_diago.F90
src_line: 784
mpi_rank: 0
message: |
Wrong dimension: read: 964050190 expected= 128
...


leave_new: decision taken to exit ...


My input file is:

optdriver 99
irdwfk 1

bs_calctype 1
mbpt_sciss 1.05 eV
bs_exchange_term 1
bs_coulomb_term 20
bs_coupling 0

bs_loband 45
nband 47

bs_freq_mesh 0 5 0.02 eV

bs_algorithm 1
zcut 0.15 eV

kptopt 1
ngkpt 4 4 4
nshiftk 1
shiftk 0.0 0.0 0.0


ecutwfn 40.0
ecuteps 5.0
inclvkb 2
icutcoul 3

ecut 40
istwfk *1
mdf_epsinf 3.4

[crystal info]
wxiaom86
 
Posts: 14
Joined: Tue Nov 29, 2016 7:28 pm

Re: BSE wrong dimension error  [SOLVED]

Postby wxiaom86 » Fri Dec 08, 2017 6:38 pm

This error is due to using the scalapack version of abinit. With lapack, it works.
wxiaom86 wrote:Hello,

I am experiencing the following error when I do BSE calculations with model dielectric function. I am using the direct diagonalization method. Anyone knows how to solve the problem?

--- !ERROR
src_file: m_exc_diago.F90
src_line: 784
mpi_rank: 0
message: |
Wrong dimension: read: 964050190 expected= 128
...


leave_new: decision taken to exit ...


My input file is:

optdriver 99
irdwfk 1

bs_calctype 1
mbpt_sciss 1.05 eV
bs_exchange_term 1
bs_coulomb_term 20
bs_coupling 0

bs_loband 45
nband 47

bs_freq_mesh 0 5 0.02 eV

bs_algorithm 1
zcut 0.15 eV

kptopt 1
ngkpt 4 4 4
nshiftk 1
shiftk 0.0 0.0 0.0


ecutwfn 40.0
ecuteps 5.0
inclvkb 2
icutcoul 3

ecut 40
istwfk *1
mdf_epsinf 3.4

[crystal info]
wxiaom86
 
Posts: 14
Joined: Tue Nov 29, 2016 7:28 pm


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