IMSL Numerical Libraries
Introduction
IMSL is a suite of cross platform numerical libraries available in Fortran, C, Java, and Python. IMSL Libraries are a comprehensive collection of mathematical, statistical, financial, data mining and machine learning functions developers can embed into their sophisticated numerical analysis applications [1].
Raad2 supports C, Fortran and Java libraries of IMSL version 2021.0.0. Please see respective sections below for details.
Running C code with ISML on raad2
This section demonstrates compiling a sample C program with the IMSL C library using the GCC 7.5.0 compiler (which is the default gcc compiler you find upon login). The sample code is taken from the IMSL's examples folder. Refer to IMSL C Numerical Libraries for detailed documentation.
Step 1: Load the IMSL C Library module
module load imsl/cnl/gcc750
This modulefile currently does not make any changes to the environment, but simply prints out the command the user needs to run in order to setup the environment for IMSL. Step 2 shows that command.
Step 2: Source the configuration script
source /lustre/sw/xc40/cle7/imsl/imsl/cnl-2021.0.0/lnxgc750x64/bin/cnlsetup.sh
Simply copy and paste the command displayed by the previous module command to your command prompt and hit enter to set up your environment.
Step 3: Compile the source code
The sample code below (cmath.c) is copied from the IMSL examples folder. If you like, you may do a cd $CNL_EXAMPLES to explore the contents of that folder.
$CC $CFLAGS -o cmath cmath.c $LINK_CNL
The contents of the cmath.c file can be seen below. A successful compilation will produce an executable named "cmath" in the current directory.
/* $CNL_EXAMPLES/validate/cmath.c */
int main(void)
{
int n = 3;
float *x;
static float a[] = { 1.0, 3.0, 3.0, 1.0, 3.0, 4.0, 1.0, 4.0, 3.0 };
static float b[] = { 1.0, 4.0, -1.0 };
/*
* Verify the version of the library we are running by
* retrieving the version number via imsl_version().
* Verify correct installation of the error message file
* by retrieving the customer number via imsl_version().
*/
char *library_version = imsl_version(IMSL_LIBRARY_VERSION);
char *customer_number = imsl_version(IMSL_LICENSE_NUMBER);
printf("Library version: %s\n", library_version);
printf("Customer number: %s\n", customer_number);
/* Solve Ax = b for x */
x = imsl_f_lin_sol_gen(n, a, b, 0);
/* Print x */
imsl_f_write_matrix("Solution, x of Ax = b", 1, n, x, 0);
/* Generate Error to access error message file */
n =-10;
printf ("\nThe next call will generate an error \n");
x = imsl_f_lin_sol_gen(n, a, b, 0);
}
Step 4: Create a Slurm Job File (imslDemo.job)
Please adjust the parameters according to your simulation's requirements.
#!/bin/bash
#SBATCH -J imslDemo
#SBATCH -p express
#SBATCH --qos=ex
#SBATCH --time=00:05:00
#SBATCH --hint=nomultithread
#SBATCH --ntasks=1
#SBATCH --output=imslDemo.o%j
#SBATCH --error=imslDemo.e%j
#SBATCH --gres=craynetwork:0
echo "Starting at $(date)"
echo "SLURM_JOBID = $SLURM_JOBID"
echo "SLURM_JOB_NODELIST = $SLURM_JOB_NODELIST"
echo "SLURM_CPUS_PER_TASK = $SLURM_CPUS_PER_TASK"
echo "Working directory = $SLURM_SUBMIT_DIR"
module load imsl/cnl/gcc750
source /lustre/sw/xc40/cle7/imsl/imsl/cnl-2021.0.0/lnxgc750x64/bin/cnlsetup.sh
srun ./cmath
Step 5: Submit the Job
sbatch imslDeml.job
Step 6: Analyze the output
After the job finishes, it will create two files (output and error files) in the working directory. The file imslDemo.o<job_id> will contain the program output and imslDemo.e<job_id> the error (if any).
Running Fortran code with ISML on raad2
This section demonstrates compiling a sample Fortran program with the IMSL Fortran library using the Intel Fortran compiler. The IMSL Fortran library has been tested successfully with the Intel Fortran version 19.1.3.304 (which is available on raad2). Refer to IMSL Fortran Numerical Libraries for detailed documentation.
Step 1: Load the Intel Fortran Compiler module
module load intel/19.1.3.304
Step 2: Load the IMSL Fortran Library module
module load imsl/fnl/intelps2020
This modulefile currently does not make any changes to the environment, but simply prints out the command the user needs to run in order to setup the environment for IMSL. Step 3 shows that command.
Step 3: Source the configuration script
source /lustre/sw/xc40/cle7/imsl/imsl/fnl-2021.0.0/sus150in201x64/bin/fnlsetup.sh
Simply copy and paste the command displayed by the previous module command to your command prompt and hit enter to set up your environment.
Step 4: Compile the source code
The sample code below (imslmp.f90) is copied from the IMSL examples folder. If you like, you may do a cd $FNL_EXAMPLES to explore the contents of that folder.
$FC $F90FLAGS -o imslmp imslmp.f90 $LINK_FNL
The contents of the imslmp.f90 file can be seen below. A successful compilation will produce an executable named "imslmp" in the current directory.
/* $FNL_EXAMPLES/validate/imslmp.f90 */
! Use files
use rand_gen_int
use show_int
! Declarations
real (kind(1.e0)), parameter:: zero=0.e0
real (kind(1.e0)) x(5)
type (s_options) :: iopti(2)=s_options(0,zero)
character VERSION*48, VERML*48
external VERML
! Start the random number generator with a known seed.
iopti(1) = s_options(s_rand_gen_generator_seed,zero)
iopti(2) = s_options(123,zero)
call rand_gen(x, iopt=iopti)
! Verify the version of the library we are running
! by retrieving the version number via verml().
!
VERSION = VERML(1)
WRITE(*,*) 'Library version: ', VERSION
! Get the random numbers
call rand_gen(x)
! Output the random numbers
call show(x,text=' X')
! Generate error
iopti(1) = s_options(15,zero)
call rand_gen(x, iopt=iopti)
end
Step 5: Create a Slurm Job File (imslDemo.job)
Please adjust the parameters according to your simulation's requirements.
#!/bin/bash
#SBATCH -J imslDemo
#SBATCH -p express
#SBATCH --qos=ex
#SBATCH --time=00:05:00
#SBATCH --hint=nomultithread
#SBATCH --ntasks=1
#SBATCH --output=imslDemo.o%j
#SBATCH --error=imslDemo.e%j
#SBATCH --gres=craynetwork:0
echo "Starting at $(date)"
echo "SLURM_JOBID = $SLURM_JOBID"
echo "SLURM_JOB_NODELIST = $SLURM_JOB_NODELIST"
echo "SLURM_CPUS_PER_TASK = $SLURM_CPUS_PER_TASK"
echo "Working directory = $SLURM_SUBMIT_DIR"
module load intel/19.1.3.304
module load imsl/fnl/intelps2020
source /lustre/sw/xc40/cle7/imsl/imsl/fnl-2021.0.0/sus150in201x64/bin/fnlsetup.sh
srun ./imslmp
Step 6: Submit the Job
sbatch imslDeml.job
Step 7: Analyze the output
After the job finishes, it will create two files (output and error files) in the working directory. The file imslDemo.o<job_id> will contain the program output and imslDemo.e<job_id> the error (if any).