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Module Environment $ module show arpack/2.1_g ------------------------------------------------------------------- /bgsys/local/modulefiles/MATH/arpack/2.1_g: module-whatis ARPACK/PARPACK (Parallel) ARnoldi PACKage ($version) setenv ARPACK_DIR /bgsys/local/arpack setenv PARPACK_DIR /bgsys/local/arpack setenv ARPACK_LIB /bgsys/local/arpack/lib_g setenv PARPACK_LIB /bgsys/local/arpack/lib_g setenv ARPACK_INCLUDE /bgsys/local/arpack/include setenv LAPACK_LIB /bgsys/local/lapack/3.3.0_g/lib ------------------------------------------------------------------- $ module load arpack/2.1_g $ module list Currently Loaded Modulefiles: 1) arpack/2.1_g 26
<strong>JUQUEEN</strong> – Application Stack Mathematical applications and libraries arpack (2.1) gsl (1.15) mumps (4.10.0) sprng (1.0, 2.0) fftw (2.1.5, 3.3.2) hypre (2.8.0) petsc (3.3) sundials (2.5.0) gmp (5.0.5) lapack (3.3.0) scalapack (2.0.1) ESSL Scientific applications CPMD (3.15.1) Gromacs (4.5.5) OpenFOAM CP2K Lammps (5May12) QuantumEspresso GPAW Namd (2.8, 2.9) VASP 27
Page 1 and 2: JUQUEEN: Application Stack and Best
Page 3 and 4: Outline Supercomputing@JSC Jülich
Page 5 and 6: Jülich Supercomputing Centre (JSC)
Page 7 and 8: Integration of JSC in Networks and
Page 9 and 10: Supercomputer Systems@JSC: Dual Con
Page 11 and 12: User Support @ JSC - Overview Cross
Page 15 and 16: JUQUEEN - System Architecture IBM B
Page 19 and 20: Accounting Billing - Jobs charged f
Page 21 and 22: Module Environment Module concept -
Page 23 and 24: Module Environment Six module categ
Page 25: Module Environment $ module help ar
Page 29 and 30: Running Simulations - Batch System
Page 31 and 32: LoadLeveler - Job Command File ASCI
Page 33 and 34: LoadLeveler - Blue Gene/Q Keywords
Page 35 and 36: Running Simulations - runjob Comman
Page 37 and 38: Running Simulations - MPI/OpenMP Co
Page 39 and 40: Monitoring of Jobs • LoadLeveler
Page 43 and 44: Compilers for CN Language Compiler
Page 45 and 46: Basic Compiler Options - XL Compile
Page 47 and 48: MPI Message-Passing Interface - Bas
Page 49 and 50: Creating static Libraries Preferred
Page 53 and 54: Example: Compilers Diagnostics subr
Page 55 and 56: Quad floating Point eXtension unit
Page 57 and 58: IBM XL Compiler Support for QPX Usa
Page 59 and 60: IBM XL QPX Intrinsics • New intri
Page 61 and 62: Thread Level Speculation (TLS) •
Page 63 and 64: Thread Level Speculation Loop: save
Page 65 and 66: Transactional Memory • Enabling b
Page 67 and 68: Choosing Shape and Mapping • Shap
Page 69 and 70: MPI Tuning - BG/Q Extensions Blue G
Page 71 and 72: Time (s) File I/O - Task-local File
Page 73 and 74: SIONlib - An Alternative to Task-Lo
Page 75 and 76: SIONlib - An Alternative to Task-Lo
Page 77 and 78:
Performance Analysis Goal: Detectio
Page 79 and 80:
Scalasca Toolset for callpath and c
Page 81 and 82:
Outline Supercomputing@JSC Jülich
Page 83 and 84:
Using Debuggers Prepare executable:
Page 85:
Thank You! JSC user and application
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