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I have a problem about running my slurm file for mmpbsa analysis and Ive got such an error that Ive mentioned below. Could you please help?

Thank you in advanced

>cat mmpbsa_out.log

Info) VMD for LINUXAMD64, version 1.9.3 (December 1, 2016)

Info) http://www.ks.uiuc.edu/Research/vmd/

Info) Email questions and bug reports to [email protected]

Info) Please include this reference in published work using VMD:

Info) Humphrey, W., Dalke, A. and Schulten, K., `VMD - Visual

Info) Molecular Dynamics', J. Molec. Graphics 1996, 14.1, 33-38.

Info) -------------------------------------------------------------

Info) Multithreading available, 64 CPUs detected.

Info) CPU features: SSE2 AVX AVX2 FMA

Info) Free system memory: 1005GB (99%)

Info) Creating CUDA device pool and initializing hardware...

Info) Detected 4 available CUDA accelerators:

Info) [0] NVIDIA A100-SXM4-80GB 108 SM_8.0 @ 1.41 GHz, 79GB RAM, AE5, ZCP

Info) [1] NVIDIA A100-SXM4-80GB 108 SM_8.0 @ 1.41 GHz, 79GB RAM, AE5, ZCP

Info) [2] NVIDIA A100-SXM4-80GB 108 SM_8.0 @ 1.41 GHz, 79GB RAM, AE5, ZCP

Info) [3] NVIDIA A100-SXM4-80GB 108 SM_8.0 @ 1.41 GHz, 79GB RAM, AE5, ZCP

Info) Detected 4 available TachyonL/OptiX ray tracing accelerators

Info) Compiling 256 OptiX shaders on 4 target GPUs...

Info) Dynamically loaded 2 plugins in directory:

Info) /ari/progs/VMD/vmd-1.9.3/lib/plugins/LINUXAMD64/molfile

/ari/users/sbaday/programs/CaFE_Plugin-master /ari/progs/VMD/vmd-1.9.3/lib/scripts/tcl8.5 /ari/progs/VMD/vmd-1.9.3/lib/scripts /ari/progs/VMD/vmd-1.9.3/lib /Projects/johns/tcl/8.5.6/lib_LINUXAMD64/lib /ari/progs/VMD/vmd-1.9.3/lib/scripts/vmd /ari/progs/VMD/vmd-1.9.3/lib/plugins/LINUXAMD64/tcl /ari/progs/VMD/vmd-1.9.3/lib/plugins/noarch/tcl

1.0

CaFE) Sanity check

psfplugin) Detected a Charmm PSF file

psfplugin) Detected a Charmm PSF EXTEnded file

Info) Using plugin psf for structure file ./step5_input.psf

Info) Analyzing structure ...

Info) Atoms: 294632

Info) Bonds: 294138

Info) Angles: 244437 Dihedrals: 251271 Impropers: 5437 Cross-terms: 1686

Info) Bondtypes: 0 Angletypes: 0 Dihedraltypes: 0 Impropertypes: 0

Info) Residues: 69251

Info) Waters: 66661

Info) Segments: 18

Info) Fragments: 67555 Protein: 6 Nucleic: 0

CaFE) Found 27522 atoms for complex

CaFE) Found 27365 atoms for receptor

CaFE) Found 157 atoms for ligand

dcdplugin) detected standard 32-bit DCD file of native endianness

dcdplugin) CHARMM format DCD file (also NAMD 2.1 and later)

Info) Using plugin dcd for coordinates from file ./md.dcd

Info) Finished with coordinate file ./md.dcd.

CaFE) Loaded 502 frames for complex

CaFE) Generating new trajectory for complex

Info) Opened coordinate file _mmpbsa_com_tmp.dcd for writing.

Info) Finished with coordinate file _mmpbsa_com_tmp.dcd.

psfplugin) Detected a Charmm PSF file

psfplugin) Detected a Charmm PSF EXTEnded file

Info) Using plugin psf for structure file ./step5_input.psf

Info) Analyzing structure ...

Info) Atoms: 294632

Info) Bonds: 294138

Info) Angles: 244437 Dihedrals: 251271 Impropers: 5437 Cross-terms: 1686

Info) Bondtypes: 0 Angletypes: 0 Dihedraltypes: 0 Impropertypes: 0

Info) Residues: 69251

Info) Waters: 66661

Info) Segments: 18

Info) Fragments: 67555 Protein: 6 Nucleic: 0

dcdplugin) detected standard 32-bit DCD file of native endianness

dcdplugin) CHARMM format DCD file (also NAMD 2.1 and later)

Info) Using plugin dcd for coordinates from file _mmpbsa_com_tmp.dcd

Info) Finished with coordinate file _mmpbsa_com_tmp.dcd.

CaFE) Loaded 502 frames for complex

CaFE) It took 0 days 0 hrs 0 min 5 sec

CaFE) Calculating the PB term

Info) ======================

Info) Please cite TopoTools as:

Info) Axel Kohlmeyer, (2016). TopoTools: Release 1.7

Info) http://doi.org/10.5281/zenodo.50249

Info) ======================

couldn't execute "delphi77": no such file or directory

Info) VMD for LINUXAMD64, version 1.9.3 (December 1, 2016)

Info) Exiting normally.

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