Install LAMMPS on CentOS 7

Hi all!

I have to install lammps on a cluster with CentOS 7. The openmpi cluster version is 4, whereas I found a lammps rpm package with the openmpi version 3: lammps-openmpi3-20190807-2.el7.aarch64.rpm.

Could there be any problems with the installation?

Thank you in advance,

Giuseppe Petrillo, PhD

Università degli studi della Campania “Luigi Vanvitelli”

Viale Lincoln, 5, 81100 Caserta

e-mail: [email protected]…9050…

in general, for a cluster or similar it is recommended to compile LAMMPS from source so that it is maximally compatible with the local environment.
There are detailed instructions in the LAMMPS manual: https://lammps.sandia.gov/doc/Build.html

Are you running a cluster with ARM CPUs?

Axel.

Thank you for the answer! Now I’m checking if we have ARM CPU’s or anything else.

Giuseppe Petrillo, PhD

Università degli studi della Campania “Luigi Vanvitelli”

Viale Lincoln, 5, 81100 Caserta

e-mail: [email protected]…9050…

Hi Alex,

we have no ARM CPUs. We have a SuperServer 7089P-TR4T, with shared-memory and

  • n. 8 CPU Intel Xeon Platinum 8168 2,7Ghz, 33MB cache memory L3, 24 core, 48 threads;
  • n. 8 schede Nvidia P100 with 16GB of memory RAM on-board;
  • n. 48 RAM a 2666 MHz with 32 GB.

The operating sistem is Linux CentOS 7.5.

Unfortunately, tha machine is not connected at the network. Therefore, I think that we have to import and install all the packages. What do you think? Do you have any suggestion?

Thank you very much for your help.

Giuseppe Petrillo, PhD

Università degli studi della Campania “Luigi Vanvitelli”

Viale Lincoln, 5, 81100 Caserta

e-mail: [email protected]…9050…

Hi Alex,

we have no ARM CPUs. We have a SuperServer 7089P-TR4T, with shared-memory and

then why are you looking at an RPM file for 64-bit ARM CPUs?

  • n. 8 CPU Intel Xeon Platinum 8168 2,7Ghz, 33MB cache memory L3, 24 core, 48 threads;
  • n. 8 schede Nvidia P100 with 16GB of memory RAM on-board;
  • n. 48 RAM a 2666 MHz with 32 GB.

The operating sistem is Linux CentOS 7.5.

Unfortunately, tha machine is not connected at the network. Therefore, I think that we have to import and install all the packages. What do you think? Do you have any suggestion?

i already gave my suggestion. It will be cleanest and rather straightforward to compile lammps from source, assuming that your machine is properly configured and installed as it is.

anything else i would have to comment beyond that is outside the topic of this mailing list and you probably don’t want to hear it anyway.

please keep in mind, that this is a mailing list about using LAMMPS, not for setting up HPC machines.

axel.

Dear Lammps community,

I have an opening for a postdoc opening in my group. Please see the advertisement below (and attachment).

Postdoctoral position – DFT and Atomistic Modelling of alloy solidification

Position start date February 1st 2021

New Mexico Institute of Mining and Technology

Department of Materials and Metallurgical Engineering, Socorro, New Mexico

Project Description

One AFRL-funded postdoctoral research position will be available from February 2021 in the area of advanced computer modelling of aluminum alloy solidification within the group of Professor Deep Choudhuri at the New Mexico Institute of Mining and Technology.

Successful candidate will carry our research in ab initio modelling of alloy solidification to examine

  1. Structure of the liquid melt as a function of alloying additions

  2. Thermodynamic evaluation of quasicrystalline structure in melt and solid states using Ab Inito MD and semiempirical MD simulations

  3. Interfacial structures and energies quasicrystalline structure in Al alloys

  4. Develop Monte Carlo codes to couple with existing DFT calculators, e.g. VASP

Successful candidates will be offered a competitive salary among publicly funded universities. Additionally, the postdoctoral candidate will have opportunity of interact closely with scientists in industry and national laboratories. The funding will be for 2 years.

Requirements (please read this carefully)

  1. PhD in Materials Science and Engineering, Physics, Chemistry, or Mechanical Engineering specializing in metal alloys. Some knowledge in metal solidification behavior will be helpful, but not required.

2. MUST have received PhD degree in the last 1-2 years.

  1. MUST have a strong background in DFT methodology/simulations, preferably using VASP, in an HPC-cluster environment.

  2. Knowledge of Python scripting and C++ programming. The latter is not mandatory

  3. Experience in MD simulations is desirable, but not mandatory

  4. The candidate is expected to have excellent communication skills via scientific publications and technical presentations. This position mandates excellent interpersonal skills necessary for a multi-disciplinary team fast-paced research environment.

  5. The candidate MUST show good judgement, accountability, flexibility and be a self-starter.

8. Since this project will be conducted in conjunction with AFRL, permanent residents (Green Card) or US citizens will be given preference. However, outstanding candidates will also be considered.

9. Due to the current COVID-19 pandemic and the associated travel restrictions, this position is open only to candidate who are currently in US.

For best consideration, interested candidates are requested to send their CV and one key publication to Dr. Deep Choudhuri at [email protected]…1033… by Nov 30th 2020

EEO/AA Policy

NMT is committed to creating a community in which a diverse population can learn, live, and work in an atmosphere of tolerance, civility and respect for the rights and sensibilities of each individual. NMT is an Equal Opportunity Employer.

Regional Attractions: New Mexico Tech is located in Socorro, in the scenic Rio Grande River Valley of central New Mexico, 75 miles south of Albuquerque with its many attractions, and 139 miles south of Santa Fe. Nearby mountains and desert canyons provide opportunities for excellent hiking, climbing, and mountain biking. The Bosque del Apache National Wildlife Refuge, located just south of Socorro along a major north-south flyway, offers some of the best birding in the USA.

Postdoctoral position.docx (17.6 KB)

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