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Written by Super User

Category: Uncategorised

02 June

Finalised Projetcs

Publications Scientifiques référençant le Cluster :


N°	Titre	Auteurs	Journal, Conférence, …	Année
01	Nuclear structure investigation of even-even proton rich nuclei in vicinity of rp-process path.	Fatima Benrachi Nadjet laouet	5^th International conference on sustainable sciences and technology 1-3 july 2022	2022
02	MOLECULAR MODELING STUDY OF DEPOLLUTION OF LINURON BY INCLUSION COMPLEXATION WITH Beta-CYCLODEXTRIN	Amina Benaissa ; a Faiza CHEKKAL , Noura NAILI , Mohamed saleh MEDJRAM	The first national Seminar on Green Chemistry and Natural Products (GCNP’22)	2022
03	Depollution of chlorpyriphos from ground water by inclusion complexation of Curcubit Q[8]	Amina Benaissa ; a Faiza CHEKKAL , Noura NAILI	1er Séminaire National sur L’Agriculture Durable et la Biodiversité 11 et 12 Mai 2022	2022
04	Modeling the peroxyl radical scavenging behavior of Carnosic acid: Mechanism, kinetics, and effects of physiological environments	Boulebd H	Phytochemistry	2011
05	Synthesis, structures, DFT calculations, and catalytic application in the direct arylation of five-membered heteroarenes with aryl bromides of novel palladium-N-heterocyclic carbene PEPPSI-type complexes	Sandeli, Abd el-Krim; Khiri-Meribout, Naima; Benzerka, Saida; Boulebd, Houssem; Gurbuz, Nevin; Ozdemir, Namik; Ozdemir, Ismail	New Journal of Chemistry	2021
06	Radical scavenging behavior of butylated hydroxytoluene against oxygenated free radicals in physiological environments: Insights from DFT calculations	Boulebd H	International Journal of Chemical Kinetics	2021
07	A detailed DFT-based study of the free radical scavenging activity and mechanism of daphnetin in physiological environments	Boulebd H, Amine Khodja I	Phytochemistry	2021
08	Structure-activity relationship of antioxidant prenylated (iso)flavonoid-type compounds: quantum chemistry and molecular docking studies	Boulebd H	Journal of Biomolecular Structure and Dynamics	2021
09	Insights into the mechanisms and kinetics of the hydroperoxyl radical scavenging activity of Artepillin C	Boulebd H	New Journal of Chemistry	2021
10	Are thymol, rosefuran, terpinolene and umbelliferone good scavengers of peroxyl radicals?	Boulebd H	Phytochemistry	2021
11	Is cannabidiolic acid an overlooked natural antioxidant? Insights from quantum chemistry calculations	Boulebd H	New Journal of Chemistry	2021
12	Free radical scavenging activity and mechanisms of amidoalkyl-2-naphthol derivative: a joint experimental and theoretical study	Khawla Boudebbous, Noudjoud Hamdouni, Houssem Boulebd, Wissam Zemamouche, Ali Boudjada, Abdemadjid Debache	Chemical Papers	2021
13	Synthesis, crystal structure, Hirshfeld surface analysis, biological evaluation, DFT calculations, and in silico ADME analysis of 4-arylidene pyrazolone derivatives as promising antibacterial agents	Imene Sehout, Houssem Boulebd, Raouf Boulcina, Sara Nemouchi, Lamia Bendjeddou, Amina Bramki, Hocine Merazig, Abdelmadjid Debache	Journal of Molecular Structure	2021
14	On the impact of zero-point vibrations in calcium carbonate	Belkofsi, G. Chahi1, O. Adjaoud and I. Belabbas	Phase transition	2021
15	Android Malware Detection using Convolutional Deep Neural Networks	Fatima Bourebaa Mohamed Benmohammed	ICAASE’20 International conference on Advanced Aspects of Software Engineering,Constantine	2020
16	Chemical and physical characterization of a natural clay and its use as photocatalyst for the degradation of the methabenzthiazuron herbicide in water	B Khennaoui, F Zehani, MA Malouki, R Menacer, MC López	Optik ELSEVIER	2020
17	Green synthesis, antibacterial evaluation and QSAR analysis of some isatin Schiff bases	MeryemChemchem, RafikMenacer, Naima Merabet, Hamida Bouridane, SamirYahiaoui, Sadjia Moussaoui,Lotfi Belkhiri	Journal of Molecular structure ELSEVIER	2020
18	Elastic properties and sound velocities of calcite under hydrostatic pressure	O.Namir and I.Belabbas	3ème Congrès International de physique et Chimie Quantique (CIPCQ'19)	Novembre 2019
19	Large out-of-plane piezoelectric esponse of Wurtzite InN under equibiaxial strain	O.Namir,J.Kioseoglou, Ph.Komninou Th.Karakostas and I.Belabbas	Modelling and Simulation in Materials Science and Engineering	Soumettre en Septembre 2020
20	Substitution effects on the antiradical activity of hydralazine: a DFT analysis	Boulebd H, Tam NM, Mechler A, Vo QV	New Journal of Chemistry	2020
21	Thermodynamic and kinetic studies of the antiradical activity of 5-hydroxymethylfurfural: computational insights	Boulebd H, Mechler A, Hoa NT, Vo QV	New Journal of Chemistry	2020
22	Design, synthesis, biological evaluation, molecular docking, DFT calculations and in silico ADME analysis of (benz)imidazole-hydrazone derivatives as promising antioxidant, antifungal, and anti-acetylcholinesterase agents	Amine Khodja I, Boulebd H, Bensouici C, Belfaitah A	Journal of Molecular Structure	2020
23	Green one-pot multicomponent synthesis, biological evaluation and theoretical investigations of some novel β-acetamido ketone derivatives as potent cholinesterase inhibitors	Ziadi Chibane A, Boulcina R, Boulebd H, Bensouici C, Yildirim M, Debache A	Tetrahedron	2020
24	Thermodynamic and Kinetic Studies of the Radical Scavenging Behavior of Hydralazine and Dihydralazine: Theoretical Insights	Boulebd H, Amine Khodja I, Bay MV, Hoa NT, Mechler A, Vo QV	The Journal of Physical Chemistry B	2020
25	Theoretical insights into the antioxidant activity of moracin T	Boulebd H	Free Radical Research	2020
26	The role of benzylic-allylic hydrogen atoms on the antiradical activity of prenylated natural chalcones: a thermodynamic and kinetic study	Boulebd H	Journal of Biomolecular Structure and Dynam	2020
27	Synthesis, biological evaluation, theoretical investigations, docking study and ADME parameters of some 1,4-bisphenylhydrazone derivatives as potent antioxidant agents and acetylcholinesterase inhibitors	Amine Khodja I, Boulebd H	Molecular Diversity	2020
28	Synthesis, biological evaluation and molecular docking studies of novel 2-alkylthiopyrimidino-tacrines as anticholinesterase agents and their DFT calculations	Derabli C, Boulebd H, Abdelwahab AB, Boucheraine C, Zerrouki S, Bensouici C, Kirsch G, Boulcina R, Debache A	Journal of Molecular Structure	2020
29	Synthesis, crystal structure, biological evaluation, docking study, and DFT calculations of 1-amidoalkyl-2-naphthol derivative	Boudebbous K, Boulebd H, Boulcina R, Bendjeddou L, Bensouici C, Merazig H, Debache A	Journal of Molecular Structure	2020
30	Study test of calculations in double-beta decay 70Zn nucleus	Fatima Benrachi NadjetLaouet	XI International Conference on Nuclear Structure Properties,12-14 September 2018, Trabzon, Turkey	2018
31	Beta decay properties of A=70 isobars	Fatima Benrachi NadjetLaouet	International Scientific Meeting on Nuclear Physics, 18-22 June 2018, La Rabida, Spain	2018
32	Some spectroscopic properties of A=74 isobars beyond Z=28	Fatima Benrachi NadjetLaouet	XXV Nuclear physics workshop Structure and dynamics of atomic nucleus,25-30 Septembre 2018, Kazimiers-Dolny, Poland	2018
33	Nuclear structure calculations of nuclei below N=126	Fatima Benrachi NadjetLaouet	LXIX International Conference "Nucleus-2019" on Nuclear Spectroscopy and Nuclear Structure "Fundamental Problems of Nuclear Physics, Nuclei at Borders of Nucleon Stability, High Technologies; Dubna, Russia, July 1st-5th 2019	2019
34	A=101 Isobars Nuclear Structure Properties Near rp-process	Fatima Benrachi NadjetLaouet	LXIX International Conference "Nucleus-2019" on Nuclear Spectroscopy and Nuclear Structure "Fundamental Problems of Nuclear Physics, Nuclei at Borders of Nucleon Stability, High Technologies; Dubna, Russia, July 1st-5th 2019	2019
35	shell evolution and spectroscopic studyof even–even z = 38 isotopes	Fatima Benrachi NadjetLaouet	ActaPhysicaPolonica B Proceedings Supplement. Vol 12, 605	2019
36	N = Z even–even proton‑rich nuclei and nuclear structure	Nadjet Laouet Fatima Benrachi Serkan Akkoyun	SN Applied Sciences (2020) 2:1775	2020
37	Deep Feature Extraction for Pap-Smear Image Classification A Comparative Study	Wafa MOUSSER, Salima OUADFEL	Proceedings of the 2019 5th International Conference on Computer and Technology Applications. 2019.	2019
38	On the impact of zero-point vibration in calcium carbonate	R. Belkofsi, O. Adjaoud, I. Belabbas	ournal of Phase Transitions ( en soumission)	2020

Written by Super User

Category: Uncategorised

03 March

Slurm queue system :

The principle of a resource manager is to reserve computing cores according to your needs.
You interact with the resource manager with the following commands:
sbatch : submission of a job in a queue (called partitions in Slurm);
scancel : canncel a job ;
squeue : job interrogation ;
sinfo :Queue Query ;
srun : immediate execution of an order ;

How to launch a "Job" :

To launch a job, you must create a script in which you must request resources and then call its program (see the following example).

#!/bin/bash 
#SBATCH -J test # Job name 
#SBATCH -o job.%j.out # Name of stdout output file (%j expands to %jobId) 
#SBATCH -N 2 # Total number of nodes requested 
#SBATCH -n 16 # Total number of mpi tasks #requested 
#SBATCH -t 01:30:00 # Run time (hh:mm:ss) - 1.5 hours 
# Launch MPI-based executable 
prun ./a.out 
# Submit job for batch execution

This script is then submitted to the queue manager with the sbatch command. for example :

# Submit job for batch execution
[test@sms ~]$ sbatch job.mpi
 Submitted batch job 339

We then obtain a job number, which can be manipulated with the scancel or squeue commands.

Track the status of a job:
It is possible to obtain the detail of the status of a job, whether it is pending or in execution, with the scontrol or squeue commands.
List of current jobs: