Why can't I run my downloaded LAMMPS executable together with the MPI on windows?

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How can one model corrosion of a coated weldment by Comsol MultiPhysics?

Which modeling procedures are there for such a problem? I need materials and videos on such modeling

09 October 2017 1,774 1 View

Can I get help from any of us who is SRIM code expert?

I have run some data and needs helping hands in discussing my results.

06 July 2015 798 0 View

What are some of the effects of neutron-stainless steel interaction?

what can one say about the number of displacement, ionization energy, energy loss to phonon, sputtering yield.?

05 June 2015 6,861 0 View

Can someone help me with a LAMMPS input file and Interatomic Potential file to adapt in determining the bulk properties of some stainless steels?

I about to determine the bulk properties of 7 different types of stainless steel (grades 304, 308 and 309) that am determine its bulk modulus and all my efforts seems futile.

03 April 2015 3,852 4 View

Which output best describes Damage assessment with SRIM-TRIM software?

I have done some SRIM-TRIM analysis on some metals. Please which of these outputs (Ionization, Sputtering, Vacancies, Range etc) is best describing the damage.

11 December 2014 7,472 5 View

Why do we employ LAMMPS in MD simulations and what does it do in terms of mechanical strength analysis?

Dear all, Can someone brief me on the use of LAMMPS in Molecular Dynamic simulations? Thank you

10 November 2014 5,128 2 View

How to convert a privately loaded document into a public document?

I attempted to make a privately uploaded text public but a window appeared that said an error occurred. There was no explanation provided as to why there was an error or what might be done to...

05 August 2024 8,025 7 View

Hi there, someone has the SeinFit software for windows because I cannot download it?

DOS version.

29 July 2024 6,064 1 View

I need a reliable source or an example supported by excel sheet to understand Fuzzy Vikor?

27 July 2024 5,916 1 View

Wrong out put for gmx x2top?

Dear users, I would like to simulate a zeolite structure in gromacs. I got the .cif file from IZA expanded in one direction in Materials Studio and exported a .pdb file. However, when I want to...

24 July 2024 367 4 View

How to do calculation of Louvain methods calculation for excel sheet and and is there any software available?

The Louvain method – named after the University of Louvain where Blondel et al. developed the algorithm – finds communities by optimizing modularity locally for every node’s neighborhood, then...

23 July 2024 6,659 0 View

Abaqus cylinder buckling riks analysis?

hi, I am doing a risk analysis of a cylindrical fuselage with windows. I have applied contact interactions between the different parts, and I have applied a unit value load to a reference point,...

20 July 2024 647 2 View

How to define a zeolite structure with rigid framwork?

Dear Gromacs users, I would like to simulate a zeolite-water system. In different literature, it is suggested to consider a rigid framework of zeolite to decrease the computational cost. I would...

15 July 2024 4,590 1 View

Why SNLO program does not opens on my computer ?

I used during a long time the program SNLO (Qmix) using computers with Windows XP, 7 and 10. First time this program worked also under Windows 11. Now (probably after the last system update) Qmix...

09 July 2024 7,243 1 View

In ETH how to generate data for microcanonical average, I have plotted diagonal elements of local operator in the eigenbasis of non-integrable Hamil.?

How to choose energy window and get data for microcanonical average .

11 June 2024 5,436 2 View

Uncertainty estimation (standard deviation) of XPS peaks in CasaXPS?

I'm looking for a way to measure the uncertainty (standard deviation) on the quantification (area) of the components of an XPS spectrum using CasaXPS. I found these options in the software, but...

04 June 2024 902 2 View