Spartan 18.4.1 has passed testing on the following Linux
distributions...
- Red Hat Enterprise Linux 7
- CentOS 7
- Ubuntu 16.04 LTS, 18.04 LTS
Installation instructions for Spartan '18.4.1. Release
Notes
Spartan '18 for Linux is available only for 64-bit Intel EM64T or AMD64
architectures.
=========================================================================
Patching Spartan 18.4
=========================================================================
If Spartan 18.4.0 is already installed, a patch can be downloaded and applied. The patch will update the
Spartan binaries without modifying the configuration of Spartan. To apply the patch...
Step 2: The patch is in the form of a self-extracting shell script. To apply, run the following command...
sh spar18.4.p1_x86-64.sh
=========================================================================
Installation for Desktop, Server, or Cluster Head Node...
============================================================
If using Firefox choose the 'Save File' option when prompted.
Now, unpack the compressed tar archive into any directory. You will use
the following commands. (assuming the archive was downloaded to "/tmp"
and
the program is to be installed into the "/usr" directory)
cd /usr
tar -xvzf
/tmp/spar18.4.1_x86-64.tgz
Next, run the installation program. The installation program must be
run as the root user to allow Spartan to be configured for all users.
cd spartan18.4_x86-64
./sp_install
If using Firefox choose the 'Save File' option when prompted.
Now, unpack the compressed tar archive. You will use
the following commands (assuming the archive was downloaded to your
'HOME' downloads folder).
cd
$HOME/Downloads
tar -xvzf SSPDV500.tgz
Next, run the installation
script. The installation program must be
run as the root user to allow the database to be configured for all
users.
cd SSPDV500
sh spinstalldb.sh
============================================================
Installation for Cluster Compute Node...
============================================================
Further configuration on the
head node...
|
Step
1: Obtain the group id of the sparsrvc group...
getent group sparsrvc | cut -d: -f3
Step
2: Obtain the user id of the sparsrvc user...
getent passwd sparsrvc | cut -d: -f3
Perform either Step 3a or 3b
Step
3a: Export the directory
'/var/spartan/spartanrc/spartan18server/SpartanServerRepository' to the
compute nodes.
Step
3b: Alternatively, move the
/var/spartan/spartanrc/spartan18server/SpartanServerRepository
directory to a
directory shared with the compute nodes and then create a symbolic link
to it.
mv /var/spartan/spartanrc/spartan18server/SpartanServerRepository
{SHARED_DIRECTORY}
ln -s {SHARED_DIRECTORY}/SpartanServerRepository
/var/spartan/spartanrc/spartan18server/SpartanServerRepository
Step
1: During installation of Spartan '18, the installer will
create the Spartan Compute Service group and user, sparsrvc. The sparsrvc group and user will be
assigned the next available group id and user id. Since the group
and user id must be kept in sync with the head node, run the
following commands to setup the sparsrvc
group and user prior to installing Spartan '18 on the compute node.
groupadd --gid {GID_FROM_HEADNODE} --system sparsrvc
useradd --uid {UID_FROM_HEADNODE} --system --gid sparsrvc --comment
"Spartan Compute Service" -M --home "/var/spartan" --shell "/bin/bash"
sparsrvc
cd /usr
tar -xvzf /tmp/spar18.4.1_x86-64.tgz
cd spartan18.4_x86-64/
./sp_install --cluster-node --license-type network --license-server
{IP address or FQDN of the head node}
Step
3: Check the license on the cluster node by running the
following command...
spartan18 --license-check --cluster-node
Perform either Step 4a or 4b
Step
4a: Make the Spartan molecule data submitted to the head
node available to the compute node. The path must be the same on
the head node and the compute node.
cd /var/spartan/spartanrc/spartan18server
mkdir SpartanServerRepository
mount -t nfs
{HEADNODE_HOSTNAME}:/var/spartan/spartanrc/spartan18server/SpartanServerRepository
/var/spartan/spartanrc/spartan18server/SpartanServerRepository
Step
4b: Alternatively, create a symbolic link if server
repository was moved to a directory shared with the compute node.
ln -s {SHARED_DIRECTORY}/SpartanServerRepository
/var/spartan/spartanrc/spartan18server/SpartanServerRepository