for i in `find /path/to/directory/with/pictures -iname "*.JPG"`;\ do\ convert $i -resize 800x600 `dirname $i`/thumb-`basename $i`;\ doneThe
find command return a whole path to a file. But we want to add thumb- before the actual name of a file. Therefore `dirname $i` ensure that convert get the proper path and `basename $i` the actual file name (preceded by thumb-).
It is also worth to note the iname option of find command. It is case insensitive version of the name.
awk 'BEGIN {a=1} \
{if ( $1 == "Mem:" ) \
{printf "%4d %s\n", a, $3; a++}}' \
free-prefork.log >mem-prefork.log
BTW. This script is to help me to plot a gnuplot graph based on "used memory" number from free command. plot "mem-prefork.log" will do the rest of job.
UPDATE
Mike Hommey post force me to rethink my scripts and I found easy way to eliminate if clause:
awk 'BEGIN {a=1} \
/^Mem:/ {printf "%4d %s\n", a, $3; a++}' \
free-prefork.log >mem-prefork.log
find . -name Makefile \
-exec sed -i.old "s/TERMLIBS\ =/TERMLIBS = -L\/usr\/local\/lib/" {} \;
Two more things about gnuplot and MacOSX.
,,Sequential,Output,,,,,Sequential,Input,,,Random,,Sequential,Create,,,,,Random,Create, ,,Per Chr, ,Block, ,Rewrite, ,Per Chr, ,Block, ,Seeks, ,Create, ,Read, ,Delete, ,Create, ,Read, ,Delete Machine,Size,K/sec,%CP,K/sec,%CP,K/sec,%CP,K/sec,%CP,K/sec,%CP,/sec,%CP,files,/sec,%CP,/sec,%CP,/sec,%CP,/sec,%CP,/sec,%CP,/sec,%CPYou can save above lines in the file called i.e. bonnie-header.csv and then cat it before csv part of bonnie.out file (of course it can have different name), by:
cat bonnie-header.csv `tail -1 bonnie.out` >bonnie.csvAfter that the output should looks similar to this one:
BTW. I found that default number of files creating for metadata benchmarks is low, so I increased it to 128.
partial default alphanumeric_keys
xkb_symbols "basic" {
include "latin"
name[Group1]="Poland based on GB";
key { [ q, Q ] };
key { [ w, W ] };
key { [ e, E, eogonek, Eogonek ] };
key { [ o, O, oacute, Oacute ] };
key { [ a, A, aogonek, Aogonek ] };
key { [ s, S, sacute, Sacute ] };
key { [ f, F ] };
key { [ z, Z, zabovedot, Zabovedot ] };
key { [ x, X, zacute, Zacute ] };
key { [ c, C, cacute, Cacute ] };
key { [ n, N, nacute, Nacute ] };
key { [ 2, quotedbl, twosuperior, oneeighth ] };
key { [ 3, sterling, threesuperior, sterling ] };
key { [ 4, dollar, EuroSign, onequarter ] };
key { [apostrophe, at, dead_circumflex, dead_caron] };
key { [ grave, notsign, bar, bar ] };
key { [numbersign, asciitilde, dead_grave, dead_breve ] };
key { [ backslash, bar, bar, brokenbar ] };
include "kpdl(comma)"
include "level3(ralt_switch)"
};
~/.local/share/Trash/files/
dmesg |grep hid
[ 33.859714] usbcore: registered new interface driver hiddev
[ 33.866820] hiddev96hidraw0: USB HID v1.00 Device [HID 06e6:c31c] on usb-0000:00:1f.4-2.2
rmmod ubhid
modprobe yealink
06e6:c31c Tiger Jet Network, Inc.
PS. The seller was OK and gave me my money back.
To present our software marketing and scientific represents use Windows laptopts with Linux in VMWare. They need Linux because our web based product (Relibase+, IsoStar and incoming WebCSD) working only on it. Using virtualization shouldn't be a problem as a machine has 2GB of memory and we can assign 1GB to guest OS. However, recently we couldn't start WebCSD, not only guest was affected but also host froze. VMWare has problem with I/O operation so we were suspicious about disk usage, but the server didn't need to much of it. Anyway I went I/O trace and decided to turn off the swap. After that server started to work as a rocket!
Parallelization of a swap partitionsI was browins through IBM developersWorks and found info that you can parallelize a swap partition.
Amazingly, all modern Linux kernels, by default (with no special kernel options or patches) allow you to parallelize swap, just like a RAID 0 stripe. By using the pri option in /etc/fstab to set multiple swap partitions to the same priority, we tell Linux to use them in parallel:
/dev/sda2 none swap sw,pri=3 0 0 /dev/sdb2 none swap sw,pri=3 0 0 /dev/sdc2 none swap sw,pri=3 0 0 /dev/sdd2 none swap sw,pri=1 0 0
/path/to/command/to/start/new-serviceto:
/opt/csd/isostar/APACHE/bin/ccdc_apache startand line:
/path/to/command/to/stop/new-serviceto:
/opt/csd/isostar/APACHE/bin/ccdc_apache stop
#Or to run it as some other user: /bin/su - username -c /path/to/command/to/start/new-service echo "."
du -m * | sort -nr | grep Qt | awk '{sum+=$1} END {print sum}'This thesis presents electronic absorption spectra, non linear optical properties and geometrical parameters of betaine dyes obtained by quantum chemical calculations.
Four betaines [4-(1-piridinium-phenolan), 3-(1-piridinium-phenolan), 2-(1-piridinium-phenolan) and 4-(1-piridinium-thiophenolan)] were selected for the study.
During the research various ab initio methods were applied. The Hartee-Fock method (HF) and the second order Møller-Plesset perturbation theory (MP2) were used to determine a geometrical and NLO properties. Moreover, the NLO were obtained using chosen variants of the coupled cluster metod (CC2, CCSD) and the geometry optimizations were perform using the Density Functional Theory (DFT/B3LYP) as well as complete active space methods (CASSCF and CASPT2). In the case of spectroscopic properties the CC and CASSCF/CASPT2 methods along with Time-Dependant DFT (with B3LYP, PBE0 and CAM-B3LYP functionals) and the Configuration Interaction with Singles (CIS and CIS(D)) were used.
Results obtained during the study indicate that the correct description of betaine dyes' electronic structure is an unusually demanding test for present quantum chemical methods. It is safe to say, that, for all of the investigated parameters, the electron correlation has to be take into account. It is also worth to notify that basis set selection is less important. However, diffuse and polarisation functions should be included in the case of spectroscopic and optical properties.
The presented computational result confirmed the very strong interaction between a betaine molecule and its environment. One of the outcome of this phenomena is a large difference between experimental results (usually obtained in condense phases) and theoretical data (calculated in vacuum). Another observation verified during project is the significant increase of the betaines' NLO by the conformational shifting. Finally, it is worth notify that the largest NLO response was obtained for 4-(1-piridinium-thiophenolan).
How you can quest I'm a doctor now! I defended my thesis (abstract above) 19th of June 2008 and my degree was confirmed by faculty of Chemistry board 26th of June. Thesis was written in Polish, so it isn't very useful for most of the world. However, there is the appendix with all available theoretical data of geometrical and spectroscopic parameters of betaine dyes. Additionally, some of results was published in following articles: JMM-11, JMM-13 and LETT-411 (I hope to write one, maybe more). PDF with thesis can be download here.
If I find some time I will might prepare English version of mentioned appendix, and of course, I will share my LaTeX, gnuplot, computational experience.
title Fedora 9 root (hd1,2) kernel /boot/vmlinuz-2.6.25-14.fc9.i686 root=/dev/sdb3 ro initrd /boot/initrd-2.6.25-14.fc9.i686.imgBut it wanted to work. All the time, I got Error 2 : Bad file or directory type. After trying many things I figured out that problem is lack of the GRUB files at the Fedora partition, so I updated grub config file.
title Fedora 9 root (hd0,0) kernel (hd1,2)/boot/vmlinuz-2.6.25-14.fc9.i686 root=/dev/sdb3 ro initrd (hd1,2)/boot/initrd-2.6.25-14.fc9.i686.imgFinally, the Fedora started to boot.
I'm glad that I finally did it so I'm sharing my scripts with you (I needed Postscript for Greek's symbols):
set term postscript eps enhanced color
set output "nlo-rhb-cc.eps"
set ylabel '{/Symbol b} [10^{-30} esu]'
set style data histogram
set style histogram cluster gap 1
set style fill solid border -1
set boxwidth
unset xtics
plot [-0.5:.7][-15000:0] "cc.csv" using 1 ti col, '' using 2 ti col, '' using 3 ti col
If you would like to try use the data below:
and data:HF/FF MP2/FF CCSD -14720.51945800 -6960.7083277 -10843.140BTW. I noted three new interesting website related to the gnuplot:
echo $myvar | perl -p -e '$_ = ucfirst'However, python looks also nice:
echo $myvar | python -c "print raw_input().capitalize()"Awk one is also nice, but a bit more complicated (one line):
echo $myvar |awk '{(sub("^.",substr(toupper($1),1,1),$1)); print }'
Just be aware that from time to time there are some politics/religion related entries.My CC calculations stopped with the forrtl: severe (22): input record too long, unit 9, file /tmp/niewod/RhbCCS/betaccs_rhb631+gd/CCSD_IAJB error message.
I changed four things and the job finished properly.
forrtl: severe (32): invalid logical unit number, unit -10001, file unknown
I reran jobs with new commands at the first machine, and it worked. Next I upgraded print level to 3 and job finished with success. So the issue could be cause by small amount of requested memory or direct/non-direct calculation in a HF,MP2 or CC calculation.Files
Once, I tried to create a website with notes on my Dalton's problems. I have had not time to upgraded it because Quantum Chemistry (and Dalton) has become much less important for me. Recently, I've decided that the best way to save my notes would be to add them as entries in my English blog. So they are.
ProblemI found difference between direct and non-direct Hartree-Fock results. The direct calculation didn't converge when non-direct did (look into the files below).
AnswerThe reason of my problems was a very sharp convergence criteria. The screening in the direct SCF gives round-off errors, which makes it impossible to converge to 1.0D-10. (The default screening is 1.0D-14, which is usually safe, unless users ask for very sharp convergence,as I did!) Disable screening in the direct SCF, resolve my problem. I had to add:
**INTEGRALS
*TWOINT
.IFTHRS
20
When convergence was set to 1.0D-09 the difference between direct and non-direct results disappear and both calculations converged in 28 iterations, with (nearly) the same energy:
I would like thanks Kenneth Ruud and Hans Jorgen Aa. Jensen for help.
Files