<?xml version='1.0'?><rss version="2.0" xmlns:dc="http://purl.org/dc/elements/1.1/" xmlns:georss="http://www.georss.org/georss" xmlns:atom="http://www.w3.org/2005/Atom" >
<channel>
	<title><![CDATA[BOL: Related items]]></title>
	<link>https://bioinformaticsonline.com/related/38248?offset=40</link>
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	<description><![CDATA[]]></description>
	
	<item>
	<guid isPermaLink="true">https://bioinformaticsonline.com/bookmarks/view/41825/hnadock-a-nucleic-acid-docking-server-for-modeling-rnadna%E2%80%93rnadna-3d-complex-structures</guid>
	<pubDate>Thu, 04 Jun 2020 23:19:07 -0500</pubDate>
	<link>https://bioinformaticsonline.com/bookmarks/view/41825/hnadock-a-nucleic-acid-docking-server-for-modeling-rnadna%E2%80%93rnadna-3d-complex-structures</link>
	<title><![CDATA[HNADOCK: a nucleic acid docking server for modeling RNA/DNA–RNA/DNA 3D complex structures]]></title>
	<description><![CDATA[<p><span>The HNADOCK server is to predict the binding complex structure between two nucleic acid molecules through a hierarchical docking algorihtm of an FFT-based global search strategy and an intrinsic scoring function for nucleic acid interactions. Users are required to provide the three-dimensional (3D) structures of the two molecules to be docked.&nbsp;</span></p><p>Address of the bookmark: <a href="http://huanglab.phys.hust.edu.cn/hnadock/" rel="nofollow">http://huanglab.phys.hust.edu.cn/hnadock/</a></p>]]></description>
	<dc:creator>Poonam Mahapatra</dc:creator>
</item>
<item>
	<guid isPermaLink="true">https://bioinformaticsonline.com/blog/view/43911/slurm-commands</guid>
	<pubDate>Wed, 06 Jul 2022 07:40:07 -0500</pubDate>
	<link>https://bioinformaticsonline.com/blog/view/43911/slurm-commands</link>
	<title><![CDATA[SLURM Commands]]></title>
	<description><![CDATA[<h3>SLURM commands</h3><p>The following table shows SLURM commands on the SOE cluster.</p><table border="1">
<thead>
<tr><th>Command</th><th>Description</th></tr>
</thead>
<tbody>
<tr>
<td><strong>sbatch</strong></td>
<td>Submit batch scripts to the cluster</td>
</tr>
<tr>
<td><strong>scancel</strong></td>
<td>Signal jobs or job steps that are under the control of Slurm.</td>
</tr>
<tr>
<td><strong>sinfo</strong></td>
<td>View information about SLURM nodes and partitions.</td>
</tr>
<tr>
<td><strong>squeue</strong></td>
<td>View information about jobs located in the SLURM scheduling queue</td>
</tr>
<tr>
<td><strong>smap</strong></td>
<td>Graphically view information about SLURM jobs, partitions, and set configurations parameters</td>
</tr>
<tr>
<td><strong>sqlog</strong></td>
<td>View information about running and finished jobs</td>
</tr>
<tr>
<td><strong>sacct</strong></td>
<td>View resource accounting information for finished and running jobs</td>
</tr>
<tr>
<td><strong>sstat</strong></td>
<td>View resource accounting information for running jobs</td>
</tr>
</tbody>
</table><p><span>For more information, run&nbsp;</span><strong>man</strong><span>&nbsp;on the commands above. See some examples below.</span><br /><br /><span style="font-size: large;"><strong>1. Info about the partitions and nodes</strong></span><span></span><br /><span>List all the partitions available to you and the nodes therein:</span></p><div><table border="0" style="background-color: #D0D0D0;">
<tbody>
<tr>
<td>
<pre>sinfo
</pre>
</td>
</tr>
</tbody>
</table></div><p><span>Nodes in state&nbsp;</span><tt>idle</tt><span>&nbsp;can accept new jobs.</span><br /><br /><span>Show a partition configuratuin, for example,&nbsp;</span><tt>SOE_main</tt><span></span></p><div><table border="0" style="background-color: #D0D0D0;">
<tbody>
<tr>
<td>
<pre>scontrol show partition=SOE_main
</pre>
</td>
</tr>
</tbody>
</table></div><p><span>Show current info about a specific node:</span></p><div><table border="0" style="background-color: #D0D0D0;">
<tbody>
<tr>
<td>
<pre>scontrol show node=&lt;nodename&gt;
</pre>
</td>
</tr>
</tbody>
</table></div><p><span>You can also specify a group of nodes in the command above. For example, if your MPI job is running across soenode05,06,35,36, you can execute the command below to get the info on the nodes you are interested in:</span></p><div><table border="0" style="background-color: #D0D0D0;">
<tbody>
<tr>
<td>
<pre>scontrol show node=soenode[05-06,35-36]
</pre>
</td>
</tr>
</tbody>
</table></div><p><span>An informative parameter in the output to look at would be CPULoad. It allows you to see how your application utilizes the CPUs on the running nodes.</span><br /><br /><span style="font-size: large;"><strong>2. Submit scripts</strong></span><span></span><br /><span>The header in a submit script specifies job name, partition (queue), time limit, memory allocation, number of nodes, number of cores, and files to collect standard output and error at run time, for example</span></p><div><table border="1">
<tbody>
<tr>
<td>
<pre>#!/bin/bash

#SBATCH --job-name=OMP_run     # job name, "OMP_run"
#SBATCH --partition=SOE_main   # partition (queue)
#SBATCH -t 0-2:00              # time limit: (D-HH:MM) 
#SBATCH --mem=32000            # memory per node in MB 
#SBATCH --nodes=1              # number of nodes
#SBATCH --ntasks-per-node=16   # number of cores
#SBATCH --output=slurm.out     # file to collect standard output
#SBATCH --error=slurm.err      # file to collect standard errors
</pre>
</td>
</tr>
</tbody>
</table></div><p><span>If the time limit is not specified in the submit script, SLURM will assign the default run time, 3 days. This means the job will be terminated by SLURM in 72 hrs. The maximum allowed run time is two weeks,&nbsp;</span><tt>14-0:00</tt><span>.</span><br /><span>If the memory limit is not requested, SLURM will assign the default 16 GB. The maximum allowed memory per node is 128 GB. To see how much RAM per node your job is using, you can run commands&nbsp;</span><tt>sacct</tt><span>&nbsp;or&nbsp;</span><tt>sstat</tt><span>&nbsp;to query MaxRSS for the job on the node - see examples below.</span><br /><span>Depending on a type of application you need to run, the submit script may contain commands to create a temporary space on a computational node -&nbsp;</span><a href="http://ecs.rutgers.edu/file_systems.html">see the discussion about using the file systems on the cluster.</a><span></span><br /><span>Then it sets the environment specific to the application and starts the application on one or multiple nodes - see sbatch sample scripts in directory&nbsp;</span><tt>/usr/local/Samples</tt><span>&nbsp;on soemaster1.hpc.rutgers.edu.</span><br /><span>You can submit your job to the cluster with&nbsp;</span><tt>sbatch</tt><span>&nbsp;command:</span></p><div><table border="0" style="background-color: #D0D0D0;">
<tbody>
<tr>
<td>
<pre>sbatch myscript.sh
</pre>
</td>
</tr>
</tbody>
</table></div><p><br /><span style="font-size: large;"><strong>3. Query job information</strong></span><span></span><br /><span>List all currently submitted jobs in running and pending states for a user:</span></p><div><table border="0" style="background-color: #D0D0D0;">
<tbody>
<tr>
<td>
<pre>squeue -u &lt;username&gt;
</pre>
</td>
</tr>
</tbody>
</table></div><p><span>Command&nbsp;</span><tt>squeue</tt><span>&nbsp;can be run with format options to expose specific information, for example, when pending job #706 is scheduled to start running:</span></p><div><table border="0" style="background-color: #D0D0D0;">
<tbody>
<tr>
<td>
<pre>squeue -j 706 --format="%S"
</pre>
</td>
</tr>
</tbody>
</table></div><div><table border="1">
<tbody>
<tr>
<td>
<pre>START_TIME
2015-04-30T09:54:32
</pre>
</td>
</tr>
</tbody>
</table></div><p><span>More info can be shown by placing additional format options, for example:</span></p><div><table border="0" style="background-color: #D0D0D0;">
<tbody>
<tr>
<td>
<pre>squeue -j 706 --format="%i %P %j %u %T %l %C %S"
</pre>
</td>
</tr>
</tbody>
</table></div><div><table border="1">
<tbody>
<tr>
<td>
<pre>JOBID PARTITION   NAME    USER STATE   TIMELIMIT  CPUS START_TIME
706   SOE_main  Par_job_3 mike PENDING 3-00:00:00 64   2015-04-30T09:54:32
</pre>
</td>
</tr>
</tbody>
</table></div><p><span>To see when all the jobs, pending in the queue, are scheduled to start:</span></p><div><table border="0" style="background-color: #D0D0D0;">
<tbody>
<tr>
<td>
<pre>squeue --start 
</pre>
</td>
</tr>
</tbody>
</table></div><p><br /><span>List all running and completed jobs for a user</span></p><div><table border="0" style="background-color: #D0D0D0;">
<tbody>
<tr>
<td>
<pre>sqlog -u &lt;username&gt;
</pre>
</td>
</tr>
</tbody>
</table></div><p><span>or</span></p><div><table border="0" style="background-color: #D0D0D0;">
<tbody>
<tr>
<td>
<pre>sqlog -j &lt;JobID&gt;
</pre>
</td>
</tr>
</tbody>
</table></div><p><span>The following appreviations are used for the job states:</span></p><pre>       CA   CANCELLED      Job was cancelled.

       CD   COMPLETED      Job completed normally.

       CG   COMPLETING     Job is in the process of completing.

       F    FAILED         Job termined abnormally.

       NF   NODE_FAIL      Job terminated due to node failure.

       PD   PENDING        Job is pending allocation.

       R    RUNNING        Job currently has an allocation.

       S    SUSPENDED      Job is suspended.

       TO   TIMEOUT        Job terminated upon reaching its time limit.
</pre><p><span>You can specify the fields you would like to see in the output of&nbsp;</span><tt>sqlog</tt><span>:</span></p><div><table border="0" style="background-color: #D0D0D0;">
<tbody>
<tr>
<td>
<pre>sqlog --format=list
</pre>
</td>
</tr>
</tbody>
</table></div><p><span>The command below, for example, provides Job ID, user name, exit state, start date-time, and end date-time for job #2831:</span></p><div><table border="0" style="background-color: #D0D0D0;">
<tbody>
<tr>
<td>
<pre>sqlog -j 2831 --format=jid,user,state,start,end
</pre>
</td>
</tr>
</tbody>
</table></div><p><span>List status info for a currently running job:</span></p><div><table border="0" style="background-color: #D0D0D0;">
<tbody>
<tr>
<td>
<pre>sstat -j &lt;jobid&gt;
</pre>
</td>
</tr>
</tbody>
</table></div><p><span>A formatted output can be used to gain only a specific info, for example, the maximum resident RAM usage on a node:</span></p><div><table border="0" style="background-color: #D0D0D0;">
<tbody>
<tr>
<td>
<pre>sstat --format="JobID,MaxRSS" -j &lt;jobid&gt;
</pre>
</td>
</tr>
</tbody>
</table></div><p><span>To get statistics on completed jobs by jobID:</span></p><div><table border="0" style="background-color: #D0D0D0;">
<tbody>
<tr>
<td>
<pre>sacct --format="JobID,JobName,MaxRSS,Elapsed" -j &lt;jobid&gt;
</pre>
</td>
</tr>
</tbody>
</table></div><p><span>To view the same information for all jobs of a user:</span></p><div><table border="0" style="background-color: #D0D0D0;">
<tbody>
<tr>
<td>
<pre>sacct --format="JobID,JobName,MaxRSS,Elapsed" -u &lt;username&gt;
</pre>
</td>
</tr>
</tbody>
</table></div><p><span>To print a list of fields that can be specified with the&nbsp;</span><tt>--format</tt><span>&nbsp;option:</span></p><div><table border="0" style="background-color: #D0D0D0;">
<tbody>
<tr>
<td>
<pre>sacct --helpformat
</pre>
</td>
</tr>
</tbody>
</table></div><p><span>For example, to get Job ID, Job name, Exit state, start date-time, and end date-time for job #2831:</span></p><div><table border="0" style="background-color: #D0D0D0;">
<tbody>
<tr>
<td>
<pre>sacct -j 2831 --format="JobID,JobName,State,Start,End"
</pre>
</td>
</tr>
</tbody>
</table></div><p><span>Another useful command to gain information about a running job is&nbsp;</span><tt>scontrol</tt><span>:</span></p><div><table border="0" style="background-color: #D0D0D0;">
<tbody>
<tr>
<td>
<pre>scontrol show job=&lt;jobid&gt;
</pre>
</td>
</tr>
</tbody>
</table></div><p><br /><span style="font-size: large;"><strong>4. Cancel a job</strong></span><span></span><br /><span>To cancel one job:</span></p><div><table border="0" style="background-color: #D0D0D0;">
<tbody>
<tr>
<td>
<pre>scancel &lt;jobid&gt;
</pre>
</td>
</tr>
</tbody>
</table></div><p><span>To cancel one job and delete the TMP directory created by the submit script on a node:</span></p><div><table border="0" style="background-color: #D0D0D0;">
<tbody>
<tr>
<td>
<pre>sdel &lt;jobid&gt;
</pre>
</td>
</tr>
</tbody>
</table></div><p><span>To cancel all the jobs for a user:</span></p><div><table border="0" style="background-color: #D0D0D0;">
<tbody>
<tr>
<td>
<pre>scancel -u &lt;username&gt;
</pre>
</td>
</tr>
</tbody>
</table></div><p><span>To cancel one or more jobs by name:</span></p><div><table border="0" style="background-color: #D0D0D0;">
<tbody>
<tr>
<td>
<pre>scancel --name &lt;myJobName&gt;
</pre>
</td>
</tr>
</tbody>
</table></div>]]></description>
	<dc:creator>Shruti Paniwala</dc:creator>
</item>
<item>
	<guid isPermaLink="true">https://bioinformaticsonline.com/blog/view/26395/biolinux-ubuntu-desktop-folder-and-files-disappeared</guid>
	<pubDate>Tue, 16 Feb 2016 08:40:41 -0600</pubDate>
	<link>https://bioinformaticsonline.com/blog/view/26395/biolinux-ubuntu-desktop-folder-and-files-disappeared</link>
	<title><![CDATA[BioLinux Ubuntu Desktop folder and files disappeared !!]]></title>
	<description><![CDATA[<p>Restarted my BioLinux ubuntu computer after an update, and when I logged back in, I noticed that all of my files went missing. Instead of Desktop folder, icons of all of my home folder are showed on desktop.</p><p>Then I thaught it migh be a problem of graphical display and I opened the terminal out of curiosity, and I found out that there is no ~/Desktop folder at all. What happened? What do I need to do?</p><p>Then I google the problem and found this is a very common problem after updates. To fix this problem, follow these steps:</p><p>You need to edit the ~/.config/user-dirs.dirs file, and make sure the contents of the file are like the following:<br /><br />XDG_DESKTOP_DIR="$HOME/Desktop"<br />XDG_DOWNLOAD_DIR="$HOME/Downloads"<br />XDG_TEMPLATES_DIR="$HOME/"<br />XDG_PUBLICSHARE_DIR="$HOME/Share"<br />XDG_DOCUMENTS_DIR="$HOME/Documents"<br />XDG_MUSIC_DIR="$HOME/Music"<br />XDG_PICTURES_DIR="$HOME/Pictures"<br />XDG_VIDEOS_DIR="$HOME/Videos"<br /><br />Then restart nautilus:<br /><br />killall nautilus<br /><br />or<br /><br />nautilus -q<br /><br />Then, open nautilus via Unity menu (press the Super key) or using the run command (Alt+F2)</p>]]></description>
	<dc:creator>Jit</dc:creator>
</item>
<item>
	<guid isPermaLink="true">https://bioinformaticsonline.com/blog/view/43872/installing-elgg-on-ubuntu</guid>
	<pubDate>Wed, 25 May 2022 02:26:05 -0500</pubDate>
	<link>https://bioinformaticsonline.com/blog/view/43872/installing-elgg-on-ubuntu</link>
	<title><![CDATA[Installing ELGG on Ubuntu !]]></title>
	<description><![CDATA[<p>Elgg is an open-source and highly customizable framework used for building an online social environment. It provides a simple and powerful user interface that helps to manage and build your content through a web browser. Elgg offers a rich set of features including messaging, microblogging, file-sharing, RSS support, access control, groups, and many more.</p><p>&nbsp;</p><p>In this tutorial, we will show you how to install and configure Elgg social networking platform on Ubuntu 20.04.</p><h2>Prerequisites</h2><p>&bull; A fresh Ubuntu 20.04&nbsp;<a href="https://www.atlantic.net/vps-hosting/">VPS</a>&nbsp;on the Atlantic.net Cloud Platform<br />&bull; A valid domain name pointed to your server IP<br />&bull; A root password configured on your server</p><h2>Step 1 &ndash; Create Atlantic.Net Cloud Server</h2><p>First, log in to your&nbsp;<a href="https://cloud.atlantic.net/?page=userlogin" target="_blank">Atlantic.Net Cloud Server</a>. Create a new&nbsp;<a href="https://www.atlantic.net/vps-hosting/how-to-create-new-atlantic-net-cloud-server/">server</a>, choosing Ubuntu 20.04 as the operating system with at least 2GB RAM. Connect to your Cloud Server via SSH and log in using the credentials highlighted at the top of the page.</p><p>Once you are logged in to your Ubuntu 20.04 server, run the following command to update your base system with the latest available packages.</p><pre>apt-get update -y</pre><h2>Step 2 &ndash; Install Apache, MariaDB and PHP</h2><p>Elgg runs on Apache web server, is written in PHP, and uses MySQL/MariaDB as a database backend, so you will need to install the Apache, MariaDB, PHP and other required PHP extensions to your server. You can install all of them with the following command:</p><pre>apt-get install apache2 mariadb-server php libapache2-mod-php php-common php-sqlite3 php-curl 
php-intl php-mbstring php-xmlrpc php-mysql php-gd php-xml php-cli php-zip unzip wget -y</pre><p>After installing all the packages, edit the php.ini file and change some recommended settings.</p><pre>nano /etc/php/7.4/apache2/php.ini</pre><p>Change the following values:</p><pre>max_execution_time = 300
memory_limit = 512M
upload_max_filesize = 100M
date.timezone = Asia/Kolkata</pre><p>Save and close the file, then restart the Apache service to apply the configuration changes.</p><pre>systemctl restart apache2</pre><h2>Step 3 &ndash; Create a Database for Elgg</h2><p>Next, you will need to create a database and user for Elgg. First, log in to MySQL shell with the following command:</p><pre>mysql</pre><p>Once logged in, create a database and user with the following command:</p><pre>CREATE DATABASE elgg;
CREATE USER 'elgg'@'localhost' IDENTIFIED BY 'secure-password';</pre><p>Next, grant all the privileges to the elgg database with the following command:</p><pre>GRANT ALL ON elgg.* TO 'elgg'@'localhost' IDENTIFIED BY 'secure-password' WITH GRANT 
OPTION;</pre><p>Next, flush the privileges and exit from the MariaDB shell with the following command:</p><pre>FLUSH PRIVILEGES;
EXIT;</pre><p>At this point, the MariaDB database is created for Elgg.</p><h2>Step 4 &ndash; Install Elgg</h2><p>First, download the latest version of Elgg from its official website using the following command:</p><pre>wget https://elgg.org/download/elgg-3.3.13.zip</pre><p>Once the download is completed, unzip the downloaded file with the following command:</p><pre>unzip elgg-3.3.13.zip</pre><p>Next, move the extracted directory to the Apache root directory:</p><pre>mv elgg-3.3.13 /var/www/html/elgg</pre><p>Next, create a data directory and set proper ownership and permissions to the Elgg directory:</p><pre>mkdir /var/www/html/data
chown -R www-data:www-data /var/www/html/elgg
chown -R www-data:www-data /var/www/html/data
chmod -R 755 /var/www/html/elgg</pre><p>Once you are finished, you can proceed to the next step.</p><h2>Step 5 &ndash; Configure Apache for Elgg</h2><p>Next, you will need to configure Apache to serve Elgg. You can configure it by creating a new Apache virtual host configuration file:</p><pre>nano /etc/apache2/sites-available/elgg.conf</pre><p>Add the following lines:</p><pre>&lt;VirtualHost *:80&gt;
ServerAdmin admin@example.com
DocumentRoot /var/www/html/elgg/
ServerName elgg.example.com
Options FollowSymLinks
AllowOverride All
ErrorLog /var/log/apache2/elgg-error_log
CustomLog /var/log/apache2/elgg-access_log common
&lt;/VirtualHost&gt;</pre><p>Save and close the file, then enable the virtual host and Apache rewrite module with the following command:</p><pre>a2ensite elgg.conf
a2enmod rewrite</pre><p>Finally, restart the Apache service to apply the changes:</p><pre>systemctl restart apache2</pre><h2>Step 6 &ndash; Access Elgg Web Interface</h2><p>Now, open your web browser and access the Elgg web interface using the URL http://elgg.example.com. You should see the Elgg welcome screen:</p>]]></description>
	<dc:creator>Neel</dc:creator>
</item>

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