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Supercomputing. 7th Russian Supercomputing Days, RuSCDays 2021, Moscow, Russia, September 27–28, 2021, Revised Selected Papers

3D simulation of the reactive transport at pore scale
Vadim Lisitsa and Tatyana Khachkova

Advanced genetic algorithm in the problem of linear solver parameters optimization
Andrey Petrushov and Boris Krasnopolsky

Analysis of software package usage based on methods for identifying similar HPC applications
Denis Shaykhislamov and Vadim Voevodin

Application of docking and quantum chemistry to the search for inhibitors of SARS-CoV-2 main protease
Anna Tashchilova, Alexey Sulimov, Ivan Ilin, Kutov Danil and Vladimir Sulimov

Calculation of Integral Coefficients for Correlation Magnetodynamics and Verification of the Theory
Anton Ivanov, Elizaveta Zipunova and Sergey Khilkov

Clumps and filaments generated by collisions between rotating and non-rotating molecular clouds
Boris Rybakin and Valery Goryachev

Comparative Efficiency Analysis of MPI Blocking and Non-Blocking Communications with Coarray Fortran
Galina Reshetova, Vladimir Cheverda and Vitaly Koinov

Desktop Grid and Cloud Computing: Short Survey
Evgeny Ivashko

Development of a universal assessment system for analyzing the quality of supercomputer resources usage
Vadim Voevodin

Exploiting structural constraints of proteolytic catalytic triads for fast supercomputer scaffold probing in enzyme design studies
Aleksandr Zlobin, Alexander-Pavel Ermidis, Valentina Maslova, Julia Belyaeva and Andrey Golovin

Fast computation of electromagnetic field in the far field zone based on spherical coordinates splitting
Anton Ivanov, Ilya Valuev, Sergey Khilkov, Anastasia Perepelkina and Sergei Belousov

Greedy Dissection Method for Shared Parallelism in Incomplete Factorization within INMOST Platform
Kirill Terekhov

Heterogeneous Parallel Algorithm For Compressible Flow Simulations On Adaptive Mixed Meshes
Sergey Sukov

High-performance atomistic modeling of evaporation of thin films under intense laser irradiation
Fedor Grigoriev, Vladimir Sulimov and Alexander Tikhonravov

High-performance Implementation of 3D Seismic Target-oriented Imaging
Maxim Protasov

Implementation of elliptic solvers within ParCS parallel framework
Gordey Goyman and Vladimir Shashkin

Investigating performance of the XAMG library for solving linear systems with multiple right-hand sides
Boris Krasnopolsky and Alexey Medvedev

JAD-Based SpMV Kernels Using Multiple-Precision Libraries for GPUs
Konstantin Isupov and Ivan Babeshko

Mini-benchmarking approach to optimize evolutionary methods of Neural Architecture Search
Kamil Khamitov and Nina Popova

Modeling the process of mixing water in the estuarine area in the presence of a density gradient of the aquatic environment using hybrid MPI / OpenMP technology
Alexander Sukhinov, Asya Atayan, Inna Kuznetsova, Vasilii Dolgov, Aleksandr Chistyakov and Alla Nikitina

Multi-Cloud Privacy-Preserving Logistic Regression
Jorge Mario Cortés-Mendoza, Andrei Tchernykh, Mikhail G. Babenko, Luis Bernardo Pulido-Gaytan and Gleb Radchenko

Multicomp: Software Package for Multiscale Simulations
Mikhail Akhukov, Daria Guseva, Andrey Knizhnk, Pavel Komarov, Vladimir Rudyak, Denis Shirabaikin, Anton Skomorokhov, Sergey Trepalin and Boris Potapkin

National Research Computer Network of Russia: development plans, role and facilities in ensuring the functioning of the National Supercomputer Infrastructure
Alexey Abramov, Anton Evseev, Andrey Gonchar and Boris Shabanov

On the prospects of quantum computing in models of social behavior
Yuri Ozhigov

Parallel algorithm for calculating the radius of stability in multicriteria optimization conditions for catalytic reforming of gasoline
Kamila Koledina, Sergey Koledin and Irek Gubaydullin

Parallel Global Search Algorithm for Optimization of the Kinetic Parameters of Chemical Reactions
Barkalov Konstantin, Leniza Enikeeva, Irek Gubaydullin and Ilya Lebedev

Parameters optimization of linear and nonlinear solvers in GeRa code
Igor Konshin, Vasily Kramarenko, Georgiy Neuvazhaev and Konstantin Novikov

Project progress forecasting in a Desktop Grid
Evgeny Ivashko and Valentina Litovchenko

Qualitative and quantitative study of modern GPU synchronization approaches
Ilya Pershin, Vadim Levchenko and Anastasia Perepelkina

Quantum-chemical calculations of the structure and thermochemical properties of 3,6-bis (2,2,2-trinitroethylnitramino)-1,2,4,5-tetrazine
Vadim Volokhov, Elena Amosova, Alexander Volokhov, David Lempert and Anatoly Korepin

Rust language for supercomputing applications
Vsevolod Nikolskiy and Andrey Bychkov

Searching for orthogonal Latin squares via cells mapping and BOINC-based Cube-and-Conquer
Eduard Vatutin, Oleg Zaikin, Maxim Manzyuk and Natalia Nikitina

Solution of large-scale black oil recovery problem in parallel using INMOST platform
Igor Konshin and Kirill Terekhov

Study of the Algorithms Information Structure as the Basis of a Training Workshop
Alexander Antonov and Nikita Volkov

Supercomputer simulation of turbulent flow around the isolated UAV rotor and associated acoustic fields
Vladimir Bobkov, Tatiana Kozubskaya, Xin Zhang and Siyang Zhong

The impact of compiler level optimization on the performance of iterative Poisson solver for numerical modeling of protostellar disks
Igor Chernykh, Eduard Vorobyov, Vardan Elbakyan and Igor Kulikov

Toward crowdsourced drug discovery: start-up of the volunteer computing project SiDock@home
Natalia Nikitina, Maxim Manzyuk, Marko Jukic, Črtomir Podlipnik, Ilya Kurochkin and Alexander Albertyan

Using 16-th order multioperators-based scheme for supercomputer simulation of the initial stage of laminar-turbulent transitions
Andrei I. Tolstykh and Dmitrii Shirobokov

Using mobile devices in a voluntary distributed computing project to solve combinatorial problems
Ilya Kurochkin, Andrey Dolgov, Maxim Manzyuk and Eduard Vatutin

Wave spectrum of the flowing drops
Maria Guskova and Lev Shchur