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Production environment

Since GALILEO is a general purpose system and it is used by several users at the same time, long production jobs must be submitted using a queuing system. This guarantees that the access to the resources is as fair as possible.

Roughly speaking, there are two different modes to use an HPC system: Interactive and Batch. For a general discussion see the section "Production Environment and Tools".


Interactive

serial program can be executed in the standard UNIX way:

> ./program

This is allowed only for very short runs, since the interactive environment has a 10 minutes time limit: for longer runs please use the "batch" mode.

A parallel program can be executed interactively only within an "Interactive" SLURM batch job, using the "srun" command: the job is queued and scheduled as any other job, but when executed, the standard input, output, and error streams are connected to the terminal session from which srun was launched.

For example, to start an interactive session with the MPI program myprogram, using one node, two processors, launch the command:

> srun -N1 -n2 --ntasks-per-node=2 -A <account_name> --pty /bin/bash

SLURM will then schedule your job to start, and your shell will be unresponsive until free resources are allocated for you.

When the shell come back with the prompt, you can execute your program by typing:

> mpirun ./myprogram

or

> srun ./myprogram

The default SLURM MPI type has been set equal to PMI2.

SLURM automatically exports the environment variables you defined in the source shell, so that if you need to run your program myprogram in a controlled environment (i.e. specific library paths or options), you can prepare the environment in the origin shell being sure to find it in the interactive shell.


 

Batch


As usual on systems using SLURM, you can submit a script script.x using the command:

> sbatch script.x

You can get a list of defined partitions with the command:

> sinfo -a

For more information and examples of job scripts, see section Batch Scheduler SLURM.

Submitting serial Batch jobs

The gll_all_serial partition is available with one core and a maximum walltime of 4 hours. It runs on the login nodes and it is designed for pre/post-processing serial analysis, and for moving your data (via rsync, scp etc.) in case more than 10 minutes are required to complete the data transfer. In order to use this partition you have to specify the SLURM flag "-P":

#SBATCH -p gll_all_serial

The gll_all_serial partition has a limit of 4 tasks per job and 4GB of memory per job. If you wish to ask for more than a core on a single job, remember to add on your jobscript the specific about the memory limit, since the default per core is 3.5GB and therefore your job won't enter because the required memory exceeds the partition limit.

Graphic session

If a graphic session is desired we recommend to use the RCM tool or the EnginFrame environment. See the corresponding session to know more how to use RCM or EnginFrame.

Submitting parallel Batch jobs

 

To run parallel batch jobs on GALILEO you need to specify the partition gll_usr_prod, or any other partition we invited you to use.

Users who need to run on GPU-equipped nodes need to specify che partition gll_usr_gpuprod.

If you do not specify the partition, your jobs will try to run on the bdw_all_serial partition, eventually failing if specific partition limits (maximum one core for maximum walltime of 4 hours) are violated.

 

The minimum number of cores to require is 1. The maximum number of cores that you can request is the 2304 (64 nodes) with a maximum walltime of 24 hours:

 

  • If you do not specify the walltime (by means of the #SBATCH --time directive), a default value of 30 minutes will be assumed.
  • If you do not specify the number of cores (by means of the "SBATCH -n" directive) a default value of 36 will be assumed.
  • If you do not specify the amount of memory (as the value of the "SBATCH --mem" DIRECTIVE), a default value of 3000MB will be assumed.
  • The maximum memory per node is 118000MB (117000 MB for gpu nodes)

 


Example of batch script to submit a batch job

The special QOS (gll_qos_special) is designed for not-ordinary types of jobs, and users need to be enabled in order to use it. Please write to superc@cineca.it in case you think you need to use it.


 

Summary

 

In the following table, you can find all the main features and limits imposed on the SLURM partitions and QOS.

 

SLURM

partition

QOS# cores per job
max walltime

max running jobs per user/

max n. of cpus/nodes per user

max memory per node

(MB)

priorityHBM/clustering modenotes

gll_all_serial

(default partition)

gll_all_serial104:00:00

Max 12 running jobs

Max 4 jobs/user

 3000











gll_usr_prodnoQOS

min = 1

max = 2304

24:00:0020/2304

118000





gll_usr_gpuprodnoQOS

min = 1

max = 64

08:00:004117000

--gres=gpu:kepler:N (N=1,4)
gll_spc_prodEvery account needs to have a valid QOS to access this partitionDepending on kind of users24:00:00/118000

Partition dedicated to specific kind of users.









gll_meteo_prodPartition reserved to meteo services, NOT opened to production






 


PLEASE NOTE: the SLURM characteristics have not completely defined for GALILEO, some changes will be possible.


Use of GPUs on GALILEO

gll_usr_gpuprod partiton is defined on 14 Haswell nodes (2*8-cores Intel Xeon E5-2630 v3 @ 2.40GHz), each equipped with + 2 nVidia  K80 GPUs. All users using an account with positive budget can launch jobs on this partition.  

The maximum number of nodes that can be require on gll_usr_gpuprod is 4, for a maximum walltime of 08:00:00 hours. The maximum memory is 117000 MB. 

You need to request the GPU as gres:


#SBATCH --partition=gll_usr_gpuprod
#SBATCH --gres=gpu:kepler:N     (N=1,4)


Galileo is also equipped of a node with two nVIDIA Volta (V100) GPUs, accessible for tests for a limited period of time. Please write to superc@cineca.it if you are interested to test the Volta GPUs, with a brief motivation for your request. Once enabled to use these resources (via the association to the QOS gll_qos_gpudev) you can submit jobs to the node with the following options:

#SBATCH --partition=gll_usr_gpudev
#SBATCH --qos=gll_qos_gpudev
#SBATCH --gres=gpu:volta:N  (N=1,2)

Users with reserved resources

Users of projects that require reserved resources will be associated to a QOS.

Using the specific QOS (i.e. specifying the QOS in the submission script) , an specifying the partition gll_spc_prod partition, users associated to the allowed project will run their jobs on reserved nodes in the gll_spc_prod partitioN

>#SBATCH --partition="gll_spc_prod"
>#SBATCH --qos=<specific_qos>


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Debuggers and Profilers

If at runtime your code dies, then there is a problem. In order to solve it, you can decide to analyze the core file (core not available with PGI compilers) or to run your code using the debugger.

Compiler flags

Whatever your decision, in any case you need enable compiler runtime checks, by putting specific flags during the compilation phase. In the following we describe those flags for the different Fortran compilers: if you are using the C or C++ compiler, please check before because the flags may differ.

The following flags are generally available for all compilers and are mandatory for an easier debuggin session:

-O0     Lower level of optimisation
-g      Produce debugging information

Other flags are compiler specific and are described in the following.

INTEL Fortran compiler

The following flags are usefull (in addition to "-O0 -g")for debugging your code:

-traceback        generate extra information to provide source file traceback at run time
-fp-stack-check   generate extra code to ensure that the floating-point stack is in the expected state
-check bounds     enables checking for array subscript expressions
-fpe0             allows some control over floating-point exception handling at run-time

PORTLAND Group (PGI) Compilers

The following flags are usefull (in addition to "-O0 -g")for debugging your code:

-C                     Add array bounds checking
-Ktrap=ovf,divz,inv    Controls the behavior of the processor when exceptions occur: 
                       FP overflow, divide by zero, invalid operands

GNU Fortran compilers

The following flags are usefull (in addition to "-O0 -g")for debugging your code:

-Wall             Enables warnings pertaining to usage that should be avoided
-fbounds-check    Checks for array subscripts.

 

 

Debuggers available  (Totalview, Scalasca, TAU)

 We plan to make available on GALILeO the three applications riported reported above in a short time. Detailed information will be published asap.


 In the following we report information about other ways to debug your codes:

PGI: pgdbg (serial/parallel debugger)

pgdbg is the Portland Group Inc. symbolic source-level debugger for F77, F90, C, C++ and assembly language programs. It is capable of debugging applications that exhibit various levels of parallelism, including:

  • Single-thread, serial applications
  • Multi-threaded applications
  • Distributed MPI applications
  • Any combination of the above

There are two forms of the command used to invoke pgdbg. The first is used when debugging non-MPI applications, the second form, using mpirun, is used when debugging MPI applications:

> pgdbg [options] ./myexec [args]
> mpirun [options] -dbg=pgdbg ./myexec [args]

More details in the on line documentation, using the "man pgdbg" command after loading the module.

To use this debugger, you should compile your code with one of the pgi compilers and the debugging command-line options described above, then you run your executable inside the "pgdbg" environment:

> module load profile/advanced
> module load pgi > pgf90 -O0 -g -C -Ktrap=ovf,divz,inv -o myexec myprog.f90 > pgdbg ./myexec

By default, pgdbg presents a graphical user interface (GUI). A command-line interface is also provided though the "-text" option.

GNU: gdb (serial debugger)

GDB is the GNU Project debugger and allows you to see what is going on 'inside' your program while it executes -- or what the program was doing at the moment it crashed.

GDB can do four main kinds of things (plus other things in support of these) to help you catch bugs in the act:

  • Start your program, specifying anything that might affect its behavior.
  • Make your program stop on specified conditions.
  • Examine what has happened, when your program has stopped.
  • Change things in your program, so you can experiment with correcting the effects of one bug and go on to learn about another.

More details in the on line documentation, using the "man gdb" command.

To use this debugger, you should compile your code with one of the gnu compilers and the debugging command-line options described above, then you run your executable inside the "gdb" environment:

> module load gnu
> gfortran -O0 -g -Wall -fbounds-check -o myexec myprog.f90
> gdb ./myexec

VALGRIND

Valgrind is a framework for building dynamic analysis tools. There are Valgrind tools that can automatically detect many memory management and threading bugs, and profile your programs in detail. The Valgrind distribution currently includes six production-quality tools: a memory error detector, two thread error detectors, a cache and branch-prediction profiler, a call-graph generating cache profiler, and a heap profiler.

Valgrind is Open Source / Free Software, and is freely available under the GNU General Public License, version 2.

To analyse a serial application:

  1. Load Valgrind module --> module load valgrind
  2. Load module for the compiler and compile your code with the compiler you prefer (Use -O0 -g flags)
  3. Run the executable under Valgrind.  

    If you normally run your program like this:

      myprog arg1 arg2
    

    Use this command line:

      valgrind  (valgrind-options) myprog arg1 arg2 

    Memcheck is the default tool. You can add the --leak-ceck option that turns on the detailed memory leak detector. Your program will run much slower  than normal, and use a lot more memory. Memcheck will issue messages about memory errors and leaks that it detects.

To analyse a parallel application:
  1. Load Valgrind module --> module load valgrind
  1. Load modules for compiler and openmpi libraries (at present only available for intel and gnu)
  2. Compile your code with the "-O0 -g" flags both at compiling and linking time
  3. Run the executable under Valgrind (both in interactive than in bacth mode)
  mpirun -np 4 valgrind (valgrind-options) myprog arg1 arg2

Core file analysis

In order to understand what problem was affecting you code, you can also try a "Core file" analysis. Since core files are usually quite large, be sure to work in the /scratch area.

There are several steps to follow:

  1. Increase the limit for possible core dumping
> ulimit -c unlimited (bash)
> limit coredumpsize unlimited (csh/tcsh)
  1. If you are using Intel compilers, set to TRUE the decfort_dump_flag environment variable
> export decfort_dump_flag=TRUE  (bash)       
> setenv decfort_dump_flag TRUE  (csh/tcsh)
  1. Compile your code with the debug flags described above.
  2. Run your code and create the core file.
  3. Analyze the core file using different tools depending on the original compiler.

INTEL compilers

> module load intel
> ifort -O0 -g -traceback -fp-stack-check -check bounds -fpe0 -o myexec prog.f90
> ulimit -c unlimited
> export decfort_dump_flag=TRUE
> ./myexec
> ls -lrt
  -rwxr-xr-x 1 aer0 cineca-staff   9652 Apr  6 14:34 myexec
  -rw------- 1 aer0 cineca-staff 319488 Apr  6 14:35 core.25629
> idbc ./myexec core.25629

PGI compilers

> module load profile/advenced
> module load pgi > pgf90 -O0 -g -C -Ktrap=ovf,divz,inv -o myexec myprog.f90 > ulimit -c unlimited > ./myexec > ls -lrt -rwxr-xr-x 1 aer0 cineca-staff 9652 Apr 6 14:34 myexec -rw------- 1 aer0 cineca-staff 319488 Apr 6 14:35 core.25666 > pgdbg -text -core core.25666 ./myexec

GNU Compilers

> module load gnu
> gfortran -O0 -g -Wall -fbounds-check -o myexec prog.f90 > ulimit -c unlimited > ./myexec > ls -lrt -rwxr-xr-x 1 aer0 cineca-staff 9652 Apr 6 14:34 myexec -rw------- 1 aer0 cineca-staff 319488 Apr 6 14:35 core.25555 > gdb ./myexec core.2555

Profilers (gprof)

In software engineering, profiling is the investigation of a program's behavior using information gathered as the program executes. The usual purpose of this analysis is to determine which sections of a program to optimize - to increase its overall speed, decrease its memory requirement or sometimes both.

A (code) profiler is a performance analysis tool that, most commonly, measures only the frequency and duration of function calls, but there are other specific types of profilers (e.g. memory profilers) in addition to more comprehensive profilers, capable of gathering extensive performance data.

gprof

The GNU profiler gprof is a useful tool for measuring the performance of a program. It records the number of calls to each function and the amount of time spent there, on a per-function basis. Functions which consume a large fraction of the run-time can be identified easily from the output of gprof. Efforts to speed up a program should concentrate first on those functions which dominate the total run-time.

gprof uses data collected by the -pg compiler flag to construct a text display of the functions within your application (call tree and CPU time spent in every subroutine). It also provides quick access to the profiled data, which let you identify the functions that are the most CPU-intensive. The text display also lets you manipulate the display in order to focus on the application's critical areas.

Usage:

>  gfortran -pg -O3 -o myexec myprog.f90
> ./myexec
> ls -ltr
   .......
   -rw-r--r-- 1 aer0 cineca-staff    506 Apr  6 15:33 gmon.out
> gprof myexec gmon.out

It is also possible to profile at code line-level (see "man gprof" for other options). In this case you must use also the “-g” flag at compilation time:

>  gfortran -pg -g -O3 -o myexec myprog.f90
> ./myexec
> ls -ltr
   .......
   -rw-r--r-- 1 aer0 cineca-staff    506 Apr  6 15:33 gmon.out
> gprof -annotated-source myexec gmon.out

 

It is possilbe possible to profile MPI programs. In this case the environment variable GMON_OUT_PREFIX must be defined in order to allow to each task to write a different statistical file. Setting

export GMON_OUT_PREFIX=<name>

 once the run is finished each task will create a file with its process ID (PID) extension

<name>.$PID

 If the environmental variable is not set every task will write the same gmon.out file.


Scientific libraries (MKL)

MKL

The Intel Math Kernel Library (Intel MKL) enables improving performance of scientific, engineering, and financial software that solves large computational problems. Intel MKL provides a set of linear algebra routines, fast Fourier transforms, as well as vectorized math and random number generation functions, all optimized for the latest Intel processors, including processors with multiple cores.

Intel MKL is thread-safe and extensively threaded using the OpenMP technology

documentation can be found in:

${MKLROOT}/../Documentation/en_US/mkl

To use the MKL in your code you to load the module, then to define includes and libraries at compile and linking time:

> module load mkl
> icc -I$MKL_INC -L$MKL_LIB  -lmkl_intel_lp64 -lmkl_core -lmkl_sequential

For more inormation please refer to the documentation.

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  • mpif90 (Fortran90)
  • mpif77 (Fortran77)
  • mpicc (C)
  • mpiCC (C++)

These command names refers refer to wrappers around the actual compilers, they behave differently depending on the module you have loaded. 

...