# ntpdate -q 0.centos.pool.ntp.org
The synchronization did not work.
To force the client to synchronise no matter how absurd the time differences, you have to use a "-b" parameter.
# ntpdate -b 0.centos.pool.ntp.org
Linux Toolkits Blog is a scratch-pad of tips and findings on Linux
# ntpdate -q 0.centos.pool.ntp.org
# ntpdate -b 0.centos.pool.ntp.org
source /usr/local/intel/bin/compilervars.sh intel64Step 2: Untar LAMMPS
# tar -zxvf lammps-stable.tar.gzStep 3: Prepare libraries for lammps 3a. lib/reax
# make -f Makefile.gfortran3b. lib/meam
# make -f Makefile.ifort3c. lib/poems
# make -f Makefile.iccStep 4: Compile required the packages. Go to src directory
# cd src4a. Check which packages are included
# make package-status Installed YES: package ASPHERE Installed YES: package BODY Installed YES: package CLASS2 Installed YES: package COLLOID Installed YES: package COMPRESS Installed YES: package CORESHELL Installed YES: package DIPOLE Installed YES: package FLD Installed NO: package GPU Installed YES: package GRANULAR Installed NO: package KIM Installed YES: package KOKKOS src/pair_lj_sdk_kokkos.cpp does not exist src/pair_lj_sdk_kokkos.h does not exist Installed YES: package KSPACE Installed YES: package MANYBODY Installed YES: package MC Installed YES: package MEAM Installed YES: package MISC Installed YES: package MOLECULE Installed YES: package MPIIO Installed YES: package OPT Installed YES: package PERI Installed YES: package POEMS Installed YES: package PYTHON Installed YES: package QEQ Installed YES: package REAX Installed YES: package REPLICA Installed YES: package RIGID Installed YES: package SHOCK Installed YES: package SNAP Installed YES: package SRD Installed NO: package VORONOI Installed YES: package XTC .........4b. Choose all the standard
# make yes-standard4c. Exclude packages that are not required
# make no-voronoi # make no-kim # make no-gpu # make no-kokkosStep 5: Install User-Contributed Intel Optimised Package (user-intel) and User-Contributed OpenMP Packages (user-omp)
# make yes-user-intel # make yes-user-ompStep 6: Compile LAMMPS Check make options. Go to src
# make intel_cpu_intelmpi -j 16Step 6a: If in the midst of compilation you land yourself in this error ld: unable to to locate -lompstub. This is due to Intel 2015 using depreciating ompstub to ompistub5. Just go to the Intel Directory
# cd /usr/local/intel_2015/composerxe/lib/intel64 # ln -s libiompstubs5.so libompstub.soStep 7: Create a /usr/local/lammps-7Dec15 and copy libraries. Go to lammps root directory
# cp -Rv bench /usr/local/lammps-14May16 # cp -Rv doc /usr/local/lammps-14May16 # cp -Rv examples /usr/local/lammps-14May16 # cp -Rv potentials /usr/local/lammps-14May16 # cp README /usr/local/lammps-14May16 # cp -Rv tools /usr/local/lammps-14May16 # cp -Rv lib /usr/local/lammps-14May16 # cp lmp_intel_cpu_intelmpi /usr/local/lammps-14May16/bin7a. Create a softlinks
# ln -s /usr/local/lammps-7Dec15/bin/lmp_intel_cpu_intelmpi lammpsReferences:
Fri May 27 16:34:53.249 2016: Expel 172.16.20.5 (goldsvr1) request from 192.168.104.34 (compute186). Expelling: 192.168.104.34 (compute186) Fri May 27 16:34:53.259 2016: Recovering nodes: 192.168.104.34 Fri May 27 16:34:53.311 2016: Recovered 1 nodes for file system gpfs3. Fri May 27 16:34:55.636 2016: Accepted and connected to 10.0.104.34 compute186 <c0n135> Fri May 27 16:39:13.333 2016: Expel 172.16.20.5 (goldsvr1) request from 192.168.104.45 (compute197). Expelling: 192.168.104.45 (compute197) Fri May 27 16:39:13.334 2016: VERBS RDMA closed connection to 192.168.104.45 compute197 on mlx4_0 port 1 Fri May 27 16:39:13.344 2016: Recovering nodes: 192.168.104.45 Fri May 27 16:39:13.393 2016: Recovered 1 nodes for file system gpfs3. Fri May 27 16:39:15.725 2016: Accepted and connected to 10.0.104.45 compute197 <c0n141> Fri May 27 16:40:18.570 2016: VERBS RDMA accepted and connected to 192.168.104.45 on mlx4_0 port 1
# ls /dev/nv* /dev/nvram
[root@comp1 ~]# lspci -d "10de:*" -v 84:00.0 3D controller: NVIDIA Corporation GK110BGL [Tesla K40m] (rev a1) Subsystem: NVIDIA Corporation Device 097e Flags: bus master, fast devsel, latency 0, IRQ 64 Memory at c9000000 (32-bit, non-prefetchable) [size=16M] Memory at 3c400000000 (64-bit, prefetchable) [size=16G] Memory at 3c3fe000000 (64-bit, prefetchable) [size=32M] Capabilities: [60] Power Management version 3 Capabilities: [68] MSI: Enable- Count=1/1 Maskable- 64bit+ Capabilities: [78] Express Endpoint, MSI 00 Capabilities: [100] Virtual Channel Capabilities: [128] Power Budgeting <?> Capabilities: [420] Advanced Error Reporting Capabilities: [600] Vendor Specific Information: ID=0001 Rev=1 Len=024 <?> Capabilities: [900] #19 Kernel driver in use: nvidia Kernel modules: nvidia, nouveau, nvidiafb