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Configuration Description

Prerequisites

The installation packages have been uploaded to the server using an SFTP tool.

Configuration Process

Table 1 Configuration process

No.

Configuration Item

Remarks

1

Setting up the open source environment

See "Setting Up the Environment for the Cluster Scenario" in Basic Environment Setup Guide.

2

Setting up the Huawei Kunpeng compiler environment

See "Installing GCC for openEuler" in User Guide (GCC for openEuler).

3

Setting up the Huawei MPI environment

See Hyper MPI 1.1.0 Operation Guide.

3

Installing system dependencies

See Installing System Dependencies.

4

Installing CMake

See Installing CMake.

5

Installing OpenBLAS

See Installing OpenBLAS.

6

Installing gau2grid

See Installing gau2grid.

7

Installing Libint

See Installing Libint.

8

Installing Libxc

See Installing Libxc.

9

Installing pybind11

See Installing pybind11.