Spartan'20.1.4
has passed testing on the following Linux
distributions...
- RHEL 7 & 8
- CentOS
7 & 8
- Ubuntu 18.04 LTS, 20.04 LTS
Installation instructions for Spartan'20.1.4. Release
Notes
Spartan '20 for Linux is available only for 64-bit
Intel EM64T or AMD64
architectures.
=========================================================================
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/spar20.1.4_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 spartan20.1_x86-64
./sp_install
**NOTE** it is not necessary to install SSPD if it was
installed previously installed with Spartan'18.
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 SSPDV501.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 SSPDV501
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/spartan20server/SpartanServerRepository' to the
compute nodes.
Step
3b: Alternatively, move the
/var/spartan/spartanrc/spartan20server/SpartanServerRepository
directory to a
directory shared with the compute nodes and then create a symbolic link
to it.
mv
/var/spartan/spartanrc/spartan20server/SpartanServerRepository
{SHARED_DIRECTORY}
ln -s {SHARED_DIRECTORY}/SpartanServerRepository
/var/spartan/spartanrc/spartan20server/SpartanServerRepository
Step
1: During installation of Spartan '20, 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 '20 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/spar20.1.4_x86-64.tgz
cd spartan20.1_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...
spartan20 --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/spartan20server
mkdir SpartanServerRepository
mount -t nfs
{HEADNODE_HOSTNAME}:/var/spartan/spartanrc/spartan20server/SpartanServerRepository
/var/spartan/spartanrc/spartan20server/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/spartan20server/SpartanServerRepository
