To install EPEL, use yum --enablrepo=extras install epel-release then use yum list gromacs * to list the available packages (and yum install to install them). CentOS 5 died in March 2017 - migrate NOW!
![Mac Mac](/uploads/1/2/5/3/125370695/572283528.png)
% yum install cmake -y.% cmake -version cmake version 2.8.11 2.1.2 gcc We recommend gcc, because it is free, widely available and frequently provides the best performance. Minimum supported compiler versions are.
GNU (gcc) 4.6. Intel (icc) 14. LLVM (clang) 3.4. Microsoft (MSVC) 2015 Other compilers may work (Cray, Pathscale, older clang) but do not offer competitive performance. We recommend against PGI because the performance with C is very bad. The Intel and GNU compilers produce much faster GROMACS executables than the PGI and Cray compilers.
既にgccが入っていたので、バージョンが4.6以上であることを確認. % exit $ mkdir /src $ cd /src $ wget $ tar -zxvf gromacs-2016.1.tar.gz $ mkdir buildserial $ cd buildserial $ cmake.DCMAKEINSTALLPREFIX =/opt/sw/gromacs-2016.1-serial -DGMXSIMD =None -DGMXBUILDOWNFFTW =ON $ make. $ su% make install% exit. makeするとき-jオプションで並列処理できる。 例) $ make -j 4. 高速フーリエ変換ライブラリにFFTWを使った。 Many simulations in GROMACS make extensive use of fast Fourier transforms, and a software library to perform these is always required. We recommend FFTW (version 3 or higher only) or Intel MKL. Generally, there is no advantage in using MKL with GROMACS, and FFTW is often faster.
デフォルトで、cmakeするときにgccの最適化オプションの設定が、AVX512向けになるようだ。ワークステーションのCPU(Sandy Bridge)がAVX512に対応していないため、cmakeするときに-DGMXSIMD=Noneのフラッグでオフにした。(AVX256は対応しているようだが、-DGMXSIMD=AVX256でcmakeしてもmakeの時に失敗する。gccのバージョンが古いためか?) 2.2.2 テスト 2.2.2.1 動作確認.
![How to install gromacs on centos server mac How to install gromacs on centos server mac](/uploads/1/2/5/3/125370695/977898613.jpg)
This tutorial describes how to install and configure LDAP server (389-DS) in CentOS 7. About 389-DS Server 389-DS (389 Directory Server) is an open source enterprise class LDAP server for Linux, and is developed by Red Hat community. It is hardened by real-world use, is full-featured, supports multi-master replication, and already handles many of the largest LDAP deployments in the world.
The 389 Directory Server can be downloaded for free, and set up in less than an hour using the graphical console. 389-DS can handle thousands of concurrent users more effectively. Add your hostname as shown below. 192.168.1.150 server1.unixmen.local server1 Change the values as per your requirement. Firewall Configuration Allow the following ldap ports to your iptables.
Firewall-cmd -permanent -add-port=389/tcp firewall-cmd -permanent -add-port=636/tcp firewall-cmd -permanent -add-port=9830/tcp Restart firewall. Firewall-cmd -reload 3. Add EPEL and REMI Repository Follow the below links to install and enable EPEL and REMI repositories. Performance and Security tuning for LDAP server Before installing LDAP server, we have to adjust some files for performance and security.
Edit file “/etc/sysctl.conf”, vi /etc/sysctl.conf Add the following lines at the end. net.ipv4.tcpkeepalivetime = 300 net.ipv4.iplocalportrange = 1024 65000 fs.file-max = 64000 Edit file “/etc/security/limits.conf”, vi /etc/security/limits.conf Add the following lines at the bottom. soft nofile 8192.
hard nofile 8192 Edit file “/etc/profile”, vi /etc/profile Add the line at the end. ulimit -n 8192 Edit file “/etc/pam.d/login”, vi /etc/pam.d/login Add the line at the end.
session required /lib/security/pamlimits.so Now Restart the server. Install 389 Directory Server Create a LDAP user account.
Useradd ldapadmin passwd ldapadmin Install 389-ds-base package using command: yum install 389-ds-base openldap-clients Right now, all required packages for 389-DS server are not available in the CentOS repositories. We have to download and install manually the following packages. Now, install the above packages one by one as shown below.