Error Reported When a Test Case Is Run

Symptom

An error similar to "Segmentation fault" is reported when a test case is run.

Key Process and Cause Analysis

The segmentation error is caused by the inconsistency between the compiler used to compile ABINIT and the compiler used to compile Open MPI 4.0.1 and BLAS.

Conclusion and Solution

Installing AtomPAW can optimize the memory read/write of data.

1. Run the following command to access the directory where the AtomPAW installation package is located:

   cd /path/to/ABINIT/extral

2. Run the following command to decompress the source code package:

   tar xvf atompaw-4.0.1.0.tar.gz

3. Run the following command to go to the source code directory:

   cd atompaw-4.0.1.0

4. Run the following commands to perform compilation and installation:

   ./configure

   make

   make install