Section TEST

• Tests to perform on the supported libraries.

• Section path: CP2K_INPUT / TEST

• This section cannot be repeated.

• Subsections

  • CP_DBCSR
  • CP_FM_GEMM
  • DBM
  • EIGENSOLVER
  • ERI_MME_TEST
  • GRID_INFORMATION
  • PROGRAM_RUN_INFO
  • PW_TRANSFER
  • RS_PW_TRANSFER
  • SHG_INTEGRALS_TEST

• Keywords

  • CLEBSCH_GORDON
  • COPY
  • DGEMM
  • ERI
  • FFT
  • LEAST_SQ_FT
  • MATMUL
  • MEMORY
  • MINIMAX
  • MPI

• Keyword descriptions

  CLEBSCH_GORDON
  	CLEBSCH_GORDON {Integer}
  	Tests the Clebsch-Gordon Coefficients. Tests are repeated the given number of times.
  	This keyword cannot be repeated and it expects precisely one integer.
  	Default value: 0
  	Alias names for this keyword: CLEBSCH

  COPY
  	COPY {Integer}
  	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 theFFTSG library. Tests are repeated the given number of times.
  	This keyword cannot be repeated and it expects precisely one integer.
  	Default value: 0

  DGEMM
  	DGEMM {Integer}
  	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.
  	This keyword cannot be repeated and it expects precisely one integer.
  	Default value: 0

  ERI
  	ERI {Integer}
  	Tests the performance and correctness of ERI libraries
  	This keyword cannot be repeated and it expects precisely one integer.
  	Default value: 0

  FFT
  	FFT {Integer}
  	Tests the performance of all available FFT libraries for 3D FFTs Tests are repeated the given number of times.
  	This keyword cannot be repeated and it expects precisely one integer.
  	Default value: 0

  LEAST_SQ_FT
  	LEAST_SQ_FT {Integer}
  	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.
  	This keyword cannot be repeated and it expects precisely one integer.
  	Default value: 0

  MATMUL
  	MATMUL {Integer}
  	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.
  	This keyword cannot be repeated and it expects precisely one integer.
  	Default value: 0

  MEMORY
  	MEMORY {Real}
  	Set the maximum amount of memory allocated for a given test (in bytes)
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 2.56000000E+008

  MINIMAX
  	MINIMAX {Integer}
  	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.
  	This keyword cannot be repeated and it expects precisely one integer.
  	Default value: 0

  MPI
  	MPI {Integer}
  	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
  	This keyword cannot be repeated and it expects precisely one integer.
  	Default value: 0