:-) 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 Copyright (c) 1991-2000, University of Groningen, The Netherlands. 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 as published by the Free Software Foundation; either version 2.1 of the License, or (at your option) any later version. 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