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Electronic Structure Theory Group

Research Facilities

1. We get the full acces to National SuperComputing Mission: Param Smriti. More information is Here.

2. We get the full acces to Czech Republic’s IT4INNOVATIONS National Supercomputing Facility with 30,000 cores. More information is Here.

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3. We have full access to IIIT-Allahabad Central Computing Facilities (More details here). The HPC central and national facility (SURYA) has 16 CPU (640 cores) compute node clusters with 4 GPU (160 cores with 2x4 Nvidia Tesla-V100 having 40,960‬ CUDA core) node clusters along with 8.5TB of RAM. The HPC Facility use Parallel File System (~200TB) of DDN GRIDScaler storage at 15 GBps throughput over 100 Gbps interconnect network. The cluster is dedicated to carry out ab-initio computations.

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