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cluster:213 [2022/04/11 17:39] hmeij07 |
cluster:213 [2023/01/31 19:18] hmeij07 |
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# Put the warewulf cluster key in authorized_keys | # Put the warewulf cluster key in authorized_keys | ||
+ | # Put eth0 fingerprints in cottontail/ | ||
+ | # add to relevant known_hosts_servername file | ||
# configure private subnets and ping file server | # configure private subnets and ping file server | ||
Line 81: | Line 83: | ||
dnf install gnuplot | dnf install gnuplot | ||
dnf install alpine # pico | dnf install alpine # pico | ||
+ | yum groupinstall " | ||
# other configs | # other configs | ||
vi / | vi / | ||
mv /home /usr/local/ | mv /home /usr/local/ | ||
+ | cd /;ln -s / | ||
+ | cd /; ln -s /home /share | ||
vi /etc/passwd (exx, dockeruser $HOME) | vi /etc/passwd (exx, dockeruser $HOME) | ||
Line 91: | Line 96: | ||
## cottontail2 = greentail52 sections | ## cottontail2 = greentail52 sections | ||
+ | #exx96 | ||
mkdir /sanscratch / | mkdir /sanscratch / | ||
chmod ugo+rwx /sanscratch / | chmod ugo+rwx /sanscratch / | ||
chmod o+t /sanscratch / | chmod o+t /sanscratch / | ||
+ | # exx96 | ||
# link localscratch in 1.4T /home to / | # link localscratch in 1.4T /home to / | ||
- | mkdir /home | + | |
- | cd /home # local dir | + | cd /home |
ln -s / | ln -s / | ||
ln -s / | ln -s / | ||
ln -s / | ln -s / | ||
- | ln -s /zfshomes /share | + | |
# fstab file mounts | # fstab file mounts | ||
+ | mkdir -p /zfshomes /home66 /home33 /mindstore / | ||
# cottontail2 = greentail52 | # cottontail2 = greentail52 | ||
# n100-n101 = n79 | # n100-n101 = n79 | ||
- | # postfix | ||
- | dnf install postfix | ||
- | dnf install mailx | ||
- | systemctl enable postfix | ||
- | echo " | ||
# on head node / | # on head node / | ||
- | allow 192.168.0.0/ | + | allow 192.168.0.0/ |
# compute nodes / | # compute nodes / | ||
#pool 2.pool.ntp.org iburst | #pool 2.pool.ntp.org iburst | ||
Line 141: | Line 144: | ||
#easybuild | #easybuild | ||
- | yum install | + | yum install |
# amber20 cmake readline error fix needs | # amber20 cmake readline error fix needs | ||
Line 165: | Line 168: | ||
# compute nodes old level 3 | # compute nodes old level 3 | ||
systemctl set-default multi-user.target | systemctl set-default multi-user.target | ||
+ | |||
+ | |||
+ | # postfix | ||
+ | dnf install postfix | ||
+ | dnf install mailx | ||
+ | systemctl enable postfix | ||
+ | echo " | ||
# compute nodes only | # compute nodes only | ||
Line 182: | Line 192: | ||
# openjdk version " | # openjdk version " | ||
rpm -qa | grep ^java # check | rpm -qa | grep ^java # check | ||
+ | yum install java-1.8.0-openjdk java-1.8.0-openjdk-devel \ | ||
+ | java-1.8.0-openjdk-headless javapackages-filesystem | ||
# python v 3.9 | # python v 3.9 | ||
yum install python39 python39-devel | yum install python39 python39-devel | ||
Line 195: | Line 207: | ||
# dmtcp | # dmtcp | ||
yum install dmtcp dmtcp-devel | yum install dmtcp dmtcp-devel | ||
+ | |||
+ | # check status of service munge | ||
yum clean all | yum clean all | ||
Line 219: | Line 233: | ||
scp cottontail2:/ | scp cottontail2:/ | ||
scp cottontail2:/ | scp cottontail2:/ | ||
+ | scp cottontail2:/ | ||
+ | | ||
+ | # / | ||
+ | / | ||
+ | |||
#test | #test | ||
/ | / | ||
Line 254: | Line 273: | ||
< | < | ||
+ | |||
+ | # First **all the necessary packages ** (yum install...) | ||
| | ||
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# Assume this is Linux: | # Assume this is Linux: | ||
- | # serial, do on heasd node, pull down miniconda, compile, install | + | # serial, do on head node, with miniconda |
cmake $AMBER_PREFIX/ | cmake $AMBER_PREFIX/ | ||
-DCMAKE_INSTALL_PREFIX=/ | -DCMAKE_INSTALL_PREFIX=/ | ||
Line 321: | Line 342: | ||
</ | </ | ||
+ | |||
+ | ==== Amber22 ==== | ||
+ | |||
+ | OpenHPC | ||
+ | |||
+ | < | ||
+ | |||
+ | # First **all the necessary packages ** (yum install...) | ||
+ | |||
+ | | ||
+ | 989 tar xvfj ../ | ||
+ | 993 cd amber20_src/ | ||
+ | 994 cd build/ | ||
+ | 996 vi run_cmake | ||
+ | |||
+ | # Assume this is Linux: | ||
+ | |||
+ | # serial, do on head node, with miniconda true, compile, install | ||
+ | cmake $AMBER_PREFIX/ | ||
+ | -DCMAKE_INSTALL_PREFIX=/ | ||
+ | -DCOMPILER=GNU | ||
+ | -DMPI=FALSE -DCUDA=FALSE -DINSTALL_TESTS=TRUE \ | ||
+ | -DDOWNLOAD_MINICONDA=TRUE \ | ||
+ | 2>&1 | tee cmake.log | ||
+ | ./run_cmake | ||
+ | make install | ||
+ | |||
+ | |||
+ | # Note !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! | ||
+ | The OpenMPI and MPICH system installations provided by CentOS | ||
+ | (i.e., through yum install) | ||
+ | are known to be somehow incompatible with Amber22. | ||
+ | # OUCH !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! | ||
+ | |||
+ | |||
+ | # GO TO node n100 | ||
+ | |||
+ | # copy head node's amber22_src/ | ||
+ | |||
+ | |||
+ | source / | ||
+ | echo $AMBERHOME | ||
+ | |||
+ | # install latest openmpi version | ||
+ | cd amber_src/ | ||
+ | tar xvfj ../ | ||
+ | |||
+ | ./ | ||
+ | |||
+ | |||
+ | # on n100 now, parallel, set | ||
+ | -MPI=TRUE | ||
+ | -DDOWNLOAD_MINICONDA=FALSE | ||
+ | ./run_cmake | ||
+ | make install | ||
+ | |||
+ | # on n100 just change cuda flag | ||
+ | |||
+ | [hmeij@n100 build]$ module load cuda/11.6 | ||
+ | [hmeij@n100 build]$ which gcc mpicc nvcc | ||
+ | / | ||
+ | / | ||
+ | / | ||
+ | [hmeij@n100 ~]$ echo $CUDA_HOME | ||
+ | / | ||
+ | |||
+ | -MPI=TRUE | ||
+ | -CUDA=TRUE | ||
+ | -DDOWNLOAD_MINICONDA=FALSE | ||
+ | ./run_cmake | ||
+ | make install | ||
+ | |||
+ | |||
+ | [hmeij@n100 ~]$ which nvcc mpicc gcc | ||
+ | / | ||
+ | / | ||
+ | / | ||
+ | |||
+ | #tests | ||
+ | cd $AMBERHOME | ||
+ | make test.serial | ||
+ | export DO_PARALLEL=" | ||
+ | make test.parallel | ||
+ | export CUDA_VISIBLE_DEVICES=0 | ||
+ | make test.cuda.serial | ||
+ | make test.cuda.parallel | ||
+ | |||
+ | </ | ||
+ | |||
**[[cluster: | **[[cluster: | ||