TEST

Tests to perform on the supported libraries. [Edit on GitHub]

Subsections

Keywords

CLEBSCH_GORDON
COPY
DGEMM
ERI
FFT
LEAST_SQ_FT
MATMUL
MEMORY
MINIMAX
MPI

Keyword descriptions

CLEBSCH_GORDON

Type: integer
Default: 0
Aliases: CLEBSCH
Usage: clebsch_gordon 10

Description: Tests the Clebsch-Gordon Coefficients. Tests are repeated the given number of times.

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COPY

Type: integer
Default: 0
Usage: copy 10

Description: Tests the performance to copy two vectors. The results of these tests allow to determine the size of the cache of the CPU. This can be used to optimize the performance of the FFTSG library. Tests are repeated the given number of times.

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DGEMM

Type: integer
Default: 0
Usage: DGEMM 10

Description: Tests the performance of different kinds of matrix matrix multiply kernels for the BLAS INTRINSIC DGEMM. Matrices up to 2**N+1 will be tested.

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ERI

Type: integer
Default: 0
Usage: eri 1

Description: Tests the performance and correctness of ERI libraries

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FFT

Type: integer
Default: 0
Usage: fft 10

Description: Tests the performance of all available FFT libraries for 3D FFTs Tests are repeated the given number of times.

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LEAST_SQ_FT

Type: integer
Default: 0
Usage: LEAST_SQ_FT 1000

Description: Tests accuracy of the integration weights gamma_ik from Kaltak, Klimes, Kresse, JCTC 10, 2498 (2014), Eq. 30. Printed is the L1-error (=minimax error for a given range and a given number of grid points. The input parameter is the given number of different Rc values.

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MATMUL

Type: integer
Default: 0
Usage: matmul 10

Description: Tests the performance of different kinds of matrix matrix multiply kernels for the F95 INTRINSIC matmul. Matrices up to 2**N+1 will be tested.

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MEMORY

Type: real
Default: 2.56000000E+008
Usage: MEMORY

Description: Set the maximum amount of memory allocated for a given test (in bytes)

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MINIMAX

Type: integer
Default: 0
Usage: MINIMAX 1000

Description: Tests validity of minimax coefficients for approximating 1/x as a sum of exponentials. Checks numerical error against tabulated error, testing the given number of different Rc values.

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MPI

Type: integer
Default: 0
Usage: mpi 6

Description: Tests mpi, quickly adapted benchmark code, will ONLY work on an even number of CPUs. comm is the relevant, initialized communicator. This test will produce messages of the size 8*10**requested_size, where requested_size is the value given to this keyword

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