:-) GROMACS - gmx, 2021.2-MODIFIED (-:
GROMACS is written by:
Andrey Alekseenko Emile Apol Rossen Apostolov
Paul Bauer Herman J.C. Berendsen Par Bjelkmar
Christian Blau Viacheslav Bolnykh Kevin Boyd
Aldert van Buuren Rudi van Drunen Anton Feenstra
Gilles Gouaillardet Alan Gray Gerrit Groenhof
Anca Hamuraru Vincent Hindriksen M. Eric Irrgang
Aleksei Iupinov Christoph Junghans Joe Jordan
Dimitrios Karkoulis Peter Kasson Jiri Kraus
Carsten Kutzner Per Larsson Justin A. Lemkul
Viveca Lindahl Magnus Lundborg Erik Marklund
Pascal Merz Pieter Meulenhoff Teemu Murtola
Szilard Pall Sander Pronk Roland Schulz
Michael Shirts Alexey Shvetsov Alfons Sijbers
Peter Tieleman Jon Vincent Teemu Virolainen
Christian Wennberg Maarten Wolf Artem Zhmurov
and the project leaders:
Mark Abraham, Berk Hess, Erik Lindahl, and David van der Spoel
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Copyright (c) 2001-2019, The GROMACS development team at
Uppsala University, Stockholm University and
the Royal Institute of Technology, Sweden.
check out http://www.gromacs.org for more information.
GROMACS is free software; you can redistribute it and/or modify it
under the terms of the GNU Lesser General Public License
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GROMACS: gmx, version 2021.2-MODIFIED
Executable: C:\Users\Administrator\Downloads\Gromacs_2021_2 (1)\bin\gmx.exe
Data prefix: C:\Users\Administrator\Downloads\Gromacs_2021_2 (1)
Working dir: C:\Users\Administrator\Documents\test_gmx
Command line:
gmx --version
GROMACS version: 2021.2-MODIFIED
This program has been built from source code that has been altered and does not match the code released as part of the official GROMACS version 2021.2-MODIFIED. If you did not intend to use an altered GROMACS version, make sure to download an intact source distribution and compile that before proceeding.
If you have modified the source code, you are strongly encouraged to set your custom version suffix (using -DGMX_VERSION_STRING_OF_FORK) which will can help later with scientific reproducibility but also when reporting bugs.
Release checksum: d91a739522d82c53dc47c2276b9ac5fae3b2119283e84e3a1c7bed8ce741fda2
Computed checksum: 2bf0e4750af5f7780ee6da21f82055d0b6e0d6afa9303a12f712e4c49802ec41
Precision: mixed
Memory model: 64 bit
MPI library: thread_mpi
OpenMP support: enabled (GMX_OPENMP_MAX_THREADS = 64)
GPU support: CUDA
SIMD instructions: AVX2_256
FFT library: fftw3
RDTSCP usage: enabled
TNG support: enabled
Hwloc support: disabled
Tracing support: disabled
C compiler: C:/Program Files (x86)/Microsoft Visual Studio/2019/Community/VC/Tools/MSVC/14.29.30037/bin/Hostx64/x64/cl.exe MSVC 19.29.30038.1
C compiler flags: /arch:AVX2 /MT /O2 /Ob2 /DNDEBUG
C++ compiler: C:/Program Files (x86)/Microsoft Visual Studio/2019/Community/VC/Tools/MSVC/14.29.30037/bin/Hostx64/x64/cl.exe MSVC 19.29.30038.1
C++ compiler flags: /arch:AVX2 /wd4800 /wd4355 /wd4996 /wd4305 /wd4244 /wd4101 /wd4267 /wd4090 /wd4068 /permissive- /analyze /analyze:stacksize 70000 /wd6001 /wd6011 /wd6053 /wd6054 /wd6385 /wd6386 /wd6387 /wd28199 /wd6239 /wd6240 /wd6294 /wd6326 /wd28020 /wd6330 /wd6993 /wd6031 /wd6244 /wd6246 -openmp /MT /O2 /Ob2 /DNDEBUG
CUDA compiler: C:/Program Files/NVIDIA GPU Computing Toolkit/CUDA/v11.3/bin/nvcc.exe nvcc: NVIDIA (R) Cuda compiler driver;Copyright (c) 2005-2021 NVIDIA Corporation;Built on Mon_May__3_19:41:42_Pacific_Daylight_Time_2021;Cuda compilation tools, release 11.3, V11.3.109;Build cuda_11.3.r11.3/compiler.29920130_0
CUDA compiler flags:-gencode;arch=compute_35,code=sm_35;-gencode;arch=compute_37,code=sm_37;-gencode;arch=compute_50,code=sm_50;-gencode;arch=compute_52,code=sm_52;-gencode;arch=compute_60,code=sm_60;-gencode;arch=compute_61,code=sm_61;-gencode;arch=compute_70,code=sm_70;-gencode;arch=compute_75,code=sm_75;-gencode;arch=compute_80,code=sm_80;-Wno-deprecated-gpu-targets;-gencode;arch=compute_86,code=sm_86;-gencode;arch=compute_35,code=compute_35;-gencode;arch=compute_53,code=compute_53;-gencode;arch=compute_80,code=compute_80;-use_fast_math;;/arch:AVX2 /wd4800 /wd4355 /wd4996 /wd4305 /wd4244 /wd4101 /wd4267 /wd4090 /wd4068 /permissive- /analyze /analyze:stacksize 70000 /wd6001 /wd6011 /wd6053 /wd6054 /wd6385 /wd6386 /wd6387 /wd28199 /wd6239 /wd6240 /wd6294 /wd6326 /wd28020 /wd6330 /wd6993 /wd6031 /wd6244 /wd6246 -openmp /MT /O2 /Ob2 /DNDEBUG
CUDA driver: 11.20
CUDA runtime: 11.30
