ehermes

module d3_fort

   use d3params, only: sp, dp, qp, Bohr, Hartree, k1, k2, k3, alp, max_elem, &
      max_cn, numcn, cntab, r2r4a, rcova, r0

   implicit none

   private
   public d3_calc

ehermes

#!/home/ehermes/local/bin/python

from __future__ import print_function
import os
import sys
import shutil
import argparse
import subprocess

parser = argparse.ArgumentParser(

ehermes

#!/usr/bin/env python

import subprocess
import time

proc = subprocess.Popen(['sleep','5'])

while proc.poll() is None:
    print "Not done yet!"
    time.sleep(1)

ehermes

/tmp/slurmd/job247766/slurm_script: line 101: 
        for (( idx=2-1 ; idx>=0 ; idx-- ))
        do
            rsync -raz aci-${NODELIST[idx]}:/scratch/local/ehermes/247766/* /home/ehermes/results/dehydrogenation/newscaling/2/2/1
        done: No such file or directory

ehermes

#!/usr/bin/env bash

# Read in the arguments
WD=`pwd`

VASP="/home/ehermes/local/bin/vasp"

NPROC=0
NODES=0
PPN=0

ehermes

#!/usr/bin/env bash

set -e

NIMAGES=8

WD=`pwd`

while [ $# -gt 0 ]
do

ehermes

foo = [0, 1, 2]

# wrong
for n in foo:
    n += 1

print foo

# right
for i in range(len(foo)):

ehermes

foo = [0, 1, 2]

for n in foo:
    n += 1

print foo

ehermes

OpenSSH_5.3p1, OpenSSL 1.0.0-fips 29 Mar 2010
debug1: Reading configuration data /home/ehermes/.ssh/config
debug1: Reading configuration data /etc/ssh/ssh_config
debug1: Applying options for *
debug2: ssh_connect: needpriv 0
debug1: Connecting to stampede.tacc.utexas.edu [129.114.62.13] port 22.
debug1: Connection established.
debug1: identity file /home/ehermes/.ssh/identity type -1
debug3: Not a RSA1 key file /home/ehermes/.ssh/id_rsa.
debug2: key_type_from_name: unknown key type '-----BEGIN'

ehermes

#!/usr/bin/env bash

set -e

NIMAGES=8

WD=`pwd`

while [ $# -gt 0 ]
do