Dear espresso users: I compiled espresso v2.1.4 with ifc 8.0 and mkl721 and all examples is "done", During my phonons calculations for tungsten bcc crash with message: en bash q=0.00,1.00,0.00...forrtl: severe (24): end-of-file during read, unit -5, file Internal List-Directed Read Image PC Routine Line Source pw.x 08572B88 Unknown Unknown Unknown pw.x 085723EC Unknown Unknown Unknown pw.x 0853BE4D Unknown Unknown Unknown pw.x 08500388 Unknown Unknown Unknown pw.x 0850082B Unknown Unknown Unknown pw.x 08513F68 Unknown Unknown Unknown pw.x 0818AFA3 Unknown Unknown Unknown pw.x 0818AE94 Unknown Unknown Unknown pw.x 080C7AF2 Unknown Unknown Unknown pw.x 080C4CF0 Unknown Unknown Unknown pw.x 0804EE46 Unknown Unknown Unknown pw.x 0804ECB8 Unknown Unknown Unknown libc.so.6 40495974 Unknown Unknown Unknown pw.x 0804EB71 Unknown Unknown Unknown
and my input is : &control calculation='phonon' restart_mode='from_scratch', prefix='W', pseudo_dir = '/home/diego/ESPRESSO/Software/Pseudopotenciales/', outdir='/scratch/' / &system ibrav= 0, celldm(1) =5.4691, nat= 2, ntyp= 2, ecutwfc =18.0, occupations='smearing', smearing='methfessel-paxton', degauss=0.05 / &electrons mixing_beta = 0.7, conv_thr = 1.0d-8 / &phonon xqq(1) = 0.00, xqq(2) = 1.00, xqq(3) = 0.00 / ATOMIC_SPECIES W 183.84 W.pz-bhs.UPF CELL_PARAMETERS 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 1.0 ATOMIC_POSITIONS W 0.0 0.0 0.0 W 0.5 0.5 0.5 K_POINTS 28 0.0 0.0 0.0 1.0 0.0 0.0 0.1 1.0 0.0 0.0 0.2 1.0 0.0 0.0 0.3 1.0 0.0 0.0 0.4 1.0 0.0 0.0 0.5 1.0 0.0 0.0 0.6 1.0 0.0 0.0 0.7 1.0 0.0 0.0 0.8 1.0 0.0 0.0 0.9 1.0 0.0 0.0 1.0 1.0 0.0 0.0 0.0 1.0 0.0 0.1 0.1 1.0 0.0 0.2 0.2 1.0 0.0 0.3 0.3 1.0 0.0 0.4 0.4 1.0 0.0 0.5 0.5 1.0 0.0 0.6 0.6 1.0 0.0 0.7 0.7 1.0 0.0 0.8 0.8 1.0 0.0 0.9 0.9 1.0 0.0 1.0 1.0 1.0 0.0 0.0 0.0 1.0 0.1 0.1 0.1 1.0 0.2 0.2 0.2 1.0 0.3 0.3 0.3 1.0 0.4 0.4 0.4 1.0 0.5 0.5 0.5 1.0 and for ph.x is fonones para W &inputph tr2_ph=1.0d-12, prefix='W', amass(1)=183.84, outdir='/scratch', fildyn='dyn.0.00,1.00,0.00' / thanks for help me Diego Moreno -------------- next part -------------- An HTML attachment was scrubbed... URL: /pipermail/attachments/20050908/e3bcab5f/attachment.htm
