Interesting Resources on NetApp and Openstack Integration. Do look at Openstack and NetApp – the Pub
This is an interesting presentation slide on Tsubame3 and ABCI: Supercomputer Architectures for HPC and AI/BD Convergence
This is an pdf document on ONTAP-9 CIFS/SMB Configuration Express Guide
Compiling Wannier90-2.1.0 is quite straight-forward.
Step 1: Download the source code from Wannier.Org at http://www.wannier.org/download.html
Step 2: Untar the tar-ball
$ tar -zxvf wannier90-2.1.0.tar.gz
Step 3: Copy and Edit the make file
$ cd wannier90-2.1.0/config $ cp make.inc.ifort .. $ cd .. $ mv make.inc.ifort make.inc
#===================================================== # For Linux with intel version 11/12 on 64bit machines #===================================================== F90 = ifort COMMS=mpi MPIF90=mpiifort FCOPTS=-O2 LDOPTS=-O2 #======================================================== # Intel mkl libraries. Set LIBPATH if not in default path #======================================================== LIBDIR = /usr/local/RH6_apps/intel/mkl/lib/intel64 LIBS = -L$(LIBDIR) -lmkl_core -lmkl_intel_lp64 -lmkl_sequential -lpthread #======================= # ATLAS Blas and LAPACK #======================= #LIBDIR = /usr/local/lib #LIBS = -L$(LIBDIR) -llapack -lf77blas -lcblas -latlas
$ make default -j 8 $ make lib $ make w90chk2chk $ make w90vdw $ make w90pov $ make test $ make doc
IF you need to restart the compilation, you use the command
$ make veryclean
For more information, do take a look at
Taken from VTST.Tools Installation Guide
The VTST•Tools has a fortran component which can be linked into the VASP code as well as a collection of scripts. Its CINEB has some improvement compared to the NEB method
Step 1: Download the VTST Code
Download the VTST Code (vtstcode.tgz) at http://theory.cm.utexas.edu/vtsttools/download.html
Step 2: Download the files in vtsttools/source into your vasp source directory.
In my situation, I put it in /home/user1/vasp.5.3.5_impi_neb/vasp.5.3/
$ tar -zxvf vtstcode.gz $ cd vtstcode-173
$ cp *.* ..
(Replace the chain.F with the new one)
Step 3: Edit main.F in the source file
Find and Replace
CALL CHAIN_FORCE(T_INFO%NIONS,DYN%POSION,TOTEN,TIFOR, & LATT_CUR%A,LATT_CUR%B,IO%IU6)
CALL CHAIN_FORCE(T_INFO%NIONS,DYN%POSION,TOTEN,TIFOR, & TSIF,LATT_CUR%A,LATT_CUR%B,IO%IU6)
Step 4: Edit the Makefile
To build the code, the VASP makefile needs to be changed. Find the variable SOURCE, which defines which objects will be built, and add the following objects before chain.o
bfgs.o dynmat.o instanton.o lbfgs.o sd.o cg.o dimer.o bbm.o fire.o lanczos.o neb.o qm.o opt.o \
Step 5: Change and compile the Makefile
Please follow Compiling VASP-5.2.12 with Intel MPI-5.0.3
Test 1: Test with SSH
The simplest way is to enable SSH and connect to it.
Test 2: Test with adinfo
# adinfo -A --user user1 Active Directory password: Password for user "user1" is correct
Test 3: Test using kinit
# /usr/share/centrifydc/kerberos/bin/kinit user1
# /usr/share/centrifydc/kerberos/bin/klist Ticket cache: FILE:/tmp/krb5cc_0 Default principal: firstname.lastname@example.org ..... ..... Valid starting Expires Service principal ..... .....
If you are facing this issue “Unable to determine user account for execution;”, it is likely casued by the fact that LSF cluster must be restarted if user authentication is switched from NIS to LDAP.
After user authentication method is switched from NIS to LDAP, all user jobs are pending with the pending reason: “Unable to determine user account for execution”.
If user authentication mode is changed, you have to restart LSF daemons on all LSF hosts for jobs to run successfully. On the LSF master master host do:
# lsadmin reconfig # badmin mbdrestart # badmin hrestart all