[Pw_forum] error: On entry to DGEMM parameter number 13 had an illegal value in 'vc-cp' run

[Bramha Pandey]

Dear Filippo, thanks for your reply.
Actually i am using the serial basis calculation and no MPI processor is
there.
i am using Intel core 2 duo (3 GB ram, 320 HD) with ubuntu-12.04  and the
espresso version is 5.0.1 with single system.

On Mon, Oct 29, 2012 at 2:51 AM, Filippo Spiga <spiga.filippo at gmail.com>wrote:

> Dear Bramha,
>
> can you tell us how did you run the calculation? Serial or parallel? With
> or without OpenMP? How many MPI processes? How many OpenMP threads?
>
> Cheers,
> Filippo
>
> On Oct 28, 2012, at 5:35 PM, Bramha Pandey <pandey.bramha at gmail.com>
> wrote:
>
> Dear All,
> I was running a 'vc-cp' calculation and got the following error:::
>
> >>> ** On entry to DGEMM parameter number 13 had an illegal value <<<<
>
> for your kind attention, i am giving my input for 'vc-cp' run.
>  &control
>     calculation='vc-cp',
>     restart_mode='reset_counters',
>     nstep=100, iprint=50, isave=100,
>     dt=8.0,
>     ndr=92, ndw=93,       >>>>>>>>>>>>>>>>>>>>>>>> ndr=92 is the previous
> relax temp output  by cp code sucessfully.
> tprnfor=.true.,tabps=.true.,
>     pseudo_dir='./pseudo/',
>     outdir='./temp/',
>  /
>  &system
>      ibrav=  0,  nat=  8, ntyp= 3,
>     ecutwfc = 60,
> lda_plus_u = .true., Hubbard_U(2) = 0.92616,   Hubbard_U(3) = 3.020318,
>     nr1b=16, nr2b=16, nr3b=16,
>
>  /
>  &electrons
>     electron_dynamics='verlet', ortho_max=30,
>     emass=700., emass_cutoff=3.,
>  /
>  &ions
>     ion_dynamics='verlet', ion_temperature='nose',
>     tempw=300, fnosep=6.6666,
>     ion_radius(1)=1.0, ion_radius(2)=1.0,
>  /
>  &cell
>     CELL_PARAMETERS='from_input' ,
>     cell_dynamics='pr', cell_temperature='nose',
>     temph=300., fnoseh=8.6071, press=1.0,
>  /
> &PRESS_AI
> pvar=.true., P_in=0, P_fin=200,
> /
>
> ATOMIC_SPECIES
> In   114.82      In.pz-bhs.UPF
>  Ga  69.723       Ga.pz-bhs.UPF
>  As   74.922      As.pz-bhs.UPF
> ATOMIC_POSITIONS crystal
>  Ga 0.00 0.00 0.00
>  Ga 0.5  0    0.5
>  Ga 0    0.5  0.5
>  Ga 0.5  0.5  0
>  As 0.25 0.25 0.25
>  As 0.75 0.25 0.75
>  As 0.25 0.75 0.75
>  As 0.75 0.75 0.25
> CELL_PARAMETERS {bohr}
> 10.48  0.0000000  0.00000000
> 0.0000000   10.48  0.00000000
> 0.0000000   0.0000000  10.48
>
> Any comments are appreciable .
> --
> Thanks and Regards
> Bramha Prasad Pandey
> Indian School of Mines(ISM)
> Dhanbad, INDIA.
>
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>
>
> --
> Mr. Filippo SPIGA, M.Sc.
> http://filippospiga.me ~ skype: filippo.spiga
>
> «Nobody will drive us out of Cantor's paradise.» ~ David Hilbert
>
>
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>



-- 
Thanks and Regards
Bramha Prasad Pandey
Indian School of Mines(ISM)
Dhanbad, INDIA.
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