ehermes

eric@nene:~$ sudo smbd -D -F -S
smbd version 3.6.4 started.
Copyright Andrew Tridgell and the Samba Team 1992-2011
PANIC (pid 57957): Could not init smbd's messaging context.

BACKTRACE: 6 stack frames:
 #0 smbd(log_stack_trace+0x1a) [0x14459ea]
 #1 smbd(smb_panic+0x25) [0x1445ac5]
 #2 smbd(+0x193d3f) [0x11b4d3f]
 #3 smbd(main+0x4b7) [0x1128e57]

ehermes

# /etc/fstab: static file system information.
#
# <file system> <mount point>   <type>  <options>       <dump>  <pass>
proc            /proc           linprocfs rw              0       0
sys             /sys            linsysfs rw              0       0
fdesc           /dev/fd         fdescfs rw              0       0
/dev/ad4s1      /               ufs     rw              0       1
/dev/cd0        /media/cdrom    cd9660  ro,noauto       0       0
tmpfs /run tmpfs rw,nosuid,noexec,size=10%,mode=755 0 0
tmpfs /run/lock tmpfs rw,nosuid,noexec,size=5m 0 0

ehermes

eric@nene:~$ free -m
             total       used       free     shared    buffers     cached
Mem:          4077       3276        800         29          0         19
-/+ buffers/cache:       3257        820
Swap:            0          0          0
eric@nene:~$

ehermes

for i in topsite bridge hcp fcc; do for j in 0 90 125 180; do for k in 2.0 2.1 2.2 2.3 2.4 2.5 2.6 2.7 2.8 2.9 3.0 3.1 3.2 3.3 3.4 3.5 3.6 3.7 3.8 3.9 4.0 4.1 4.2 4.3 4.4 4.5 4.6 4.7 4.8 4.9 5.0; do A=$(grep "E0=" /home/ehermes/reparam/$i/$j/$k/OSZICAR); if [ ! -n "$A" ]; then echo "$i/$j/$k"; A=""; fi; done; done; done

ehermes

def listbuzz(stop):
    for number in range(1,stop+1):
        out = []
        if (number % 3) == 0: out.append('Fizz')
        if (number % 5) == 0: out.append('Buzz')
        output = ''.join(out) if len(out) else number
    return

def stringbuzz(stop):
    for number in range(1,stop+1):

ehermes

    for number in range(1,stop+1):
        out = []
        if (number % 3) == 0: out.append('Fizz')
        if (number % 5) == 0: out.append('Buzz')
        output = ''.join(out) if len(out) else number
    return

def stringbuzz(stop):
    for number in range(1,stop+1):
        out = ''

ehermes

[ehermes@pople vasp.4.6]$ ldd vasp
        libm.so.6 => /lib64/libm.so.6 (0x0000003786a00000)
        libpthread.so.0 => /lib64/libpthread.so.0 (0x0000003787200000)
        libc.so.6 => /lib64/libc.so.6 (0x0000003786600000)
        /lib64/ld-linux-x86-64.so.2 (0x0000003786200000)
        libgcc_s.so.1 => /lib64/libgcc_s.so.1 (0x0000003794800000)
        libdl.so.2 => /lib64/libdl.so.2 (0x0000003786e00000)
[ehermes@pople vasp.4.6]$

ehermes

#!/usr/bin/env python

import numpy as np
from scipy import optimize
from ase.io import read
from pykitnew.geometry import geomread
from ase import units
import os

eweight = [] # raw qm BE for weighting fit

ehermes

  ___ ___ ___ _ _ _  
 |   |   |_  | | | | 
 | | | | | . | | | | 
 |__ |  _|___|_____|  0.9.1.10122
 |___|_|             

User:  [email protected]
Date:  Mon Apr  8 15:25:37 2013
Arch:  x86_64

ehermes

from ase.io import read
from gpaw import GPAW, FermiDirac

slab = read('slab.xyz')

slab.calc = GPAW(xc='PBE',occupations=FermiDirac(0.01),h=0.1)

slab.get_potential_energy()