Closed deuterium33 closed 5 years ago
Dear @deuterium33,
Do you use the default environment ?
Can you do for me :
module list
mpicxx -show
mpicxx --version
Normally you should use the Intel compiler behind these wrappers but it seems that the problem is related to GNU.
Intel compilers can sometime use the gnu standard libraries. It could be that these libraries are too old (could be useful to try with gcc 5 or 6 at least). Or that the cluster should be setup with Intel's libraries. Do you have a system admin to help you with those?
[mbaillyg@comet-ln2 Smilei]$ module list Currently Loaded Modulefiles: 1) gnutools/2.69 4) hdf5/1.8.14 7) gnu/4.9.2 2) intel/2013_sp1.2.144 5) mkl/11.1.2.144 3) mvapich2_ib/2.1 6) python/2.7.10
mpicxx -show icpc -fPIC -O3 -I/opt/mvapich2/intel/ib/include -L/opt/mvapich2/intel/ib/lib -lmpicxx -Wl,-rpath -Wl,/opt/mvapich2/intel/ib/lib -Wl,--enable-new-dtags -lmpi
mpicxx --version icpc (ICC) 14.0.2 20140120 Copyright (C) 1985-2014 Intel Corporation. All rights reserved.
Yes it used Intel's compiler, but as mentioned @mccoys, it uses gnu standard libraries too for some compilation part. Yet, the version it uses according to the pasted content of compilation on my last message is gcc 4.9.2. I don't have access to gcc 5 or 6 according to the available module list. I can contact the administrators to ask if it is available.
Best!
By the way, here are the list of all available modules on Comet:
------------------------------------ /opt/modulefiles/mpi/.gnu ------------------------------------- intelmpi/2016.3.210(default) mvapich2_gdr/2.2 openmpi_ib/1.8.4(default) mvapich2_gdr/2.1(default) mvapich2_ib/2.1(default)
-------------------------------- /opt/modulefiles/applications/.gnu -------------------------------- atlas/3.10.2(default) hdf5/1.8.14(default) scalapack/2.0.2(default) boost/1.55.0(default) lapack/3.6.0(default) slepc/3.6.2(default) fftw/2.1.5 netcdf/3.6.2 sprng/2.0b(default) fftw/3.3.4(default) netcdf/4.3.2(default) sundials/2.6.2(default) gsl/1.16 p3dfft/2.7.4(default) superlu/4.2(default) gsl/2.1(default) parmetis/4.0.3(default) trilinos/11.12.1(default) hdf4/2.11(default) petsc/3.6.3(default)
----------------------------------- /opt/modulefiles/mpi/.intel ------------------------------------ intelmpi/2016.3.210(default) mvapich2_gdr/2.2 openmpi_ib/1.8.4(default) mvapich2_gdr/2.1(default) mvapich2_ib/2.1(default)
------------------------------- /opt/modulefiles/applications/.intel ------------------------------- atlas/3.10.2(default) lapack/3.6.0(default) scalapack/2.0.2(default) boost/1.55.0(default) mxml/2.9(default) slepc/3.6.2(default) fftw/2.1.5 netcdf/3.6.2 sprng/2.0b(default) fftw/3.3.4(default) netcdf/4.3.2(default) sundials/2.6.2(default) gsl/1.16 p3dfft/2.7.4(default) superlu/4.2(default) gsl/2.1(default) papi/5.4.1(default) tau/2.23(default) hdf4/2.11(default) parmetis/4.0.3(default) trilinos/11.12.1(default) hdf5/1.8.14(default) pdt/3.20(default) ipm/2.0.3(default) petsc/3.6.3(default)
------------------------------------ /opt/modulefiles/compilers ------------------------------------ cilk/5.4.6(default) intel/2013_sp1.2.144(default) mono/3.12.0(default) cmake/3.9.1(default) intel/2015.2.164 pgi/17.5(default) gnu/4.9.2(default) intel/2016.3.210 python/2.7.10(default) guile/2.0.11(default) julia/0.6.0(default)
---------------------------------- /opt/modulefiles/applications ----------------------------------- abaqus/6.11-2 idba-ud/1.1.1(default) abaqus/6.14-1(default) idl/8.4(default) abinit/8.4.2(default) jasper/1.900.1(default) abyss/2.0.2(default) lammps/20170331(default) amber/16(default) llvm/3.6.2(default) amber/18 mafft/7.187(default) apbs/1.5(default) matlab/2018a(default) bamtools/2.4.0(default) matt/1.00(default) bbcp/14.09.02.00.0(default) migrate/3.6.11(default) bbftp/3.2.1(default) migrate/3.6.8 bcftools/1.3(default) miRDeep2/0.0.7(default) beagle/2.1(default) miso/0.5.3(default) beast/1.8.0 mkl/11.1.2.144(default) beast/1.8.1 mkl/11.2.2.164 beast/1.8.2(default) mkl/11.3.3 beast2/2.1.3(default) molden/5.0.7(default) bedtools/2.25.0(default) mpc/1.0.3(default) bioperl/1.007002(default) mpfr/3.1.2(default) biopython/1.66(default) mpi4py/1.3.1(default) bismark/0.15.0(default) mpiblast/1.6.0(default) blast/2.3.0(default) namd/2.10(default) blat/35(default) namd/2.12 bowtie/1.1.2(default) namd/2.9 bowtie2/2.2.7(default) ncl_ncarg/6.2.1(default) bwa/0.7.13(default) ncview/2.1.7(default) bx-python/0.8.1(default) node/8.9.4(default) celera/8.3rc2(default) NucleoATAC/0.3.1(default) cp2k/4.1(default) nwchem/6.6(default) cpmd/3.17.1(default) octave/4.2.1(default) cuda/6.5 openbabel/2.3.2(default) cuda/7.0(default) picard/2.3.0(default) cuda/7.5 plink/1.9(default) cuda/8.0 polymake/2.14(default) cuda/9.2 proj/4.9.3(default) cufflinks/2.2.1(default) pysam/0.8.4(default) ddt/19.0.2(default) qchem/5.2(default) dendropy/4.0.3(default) qe/6.3(default) diamond/0.7.12(default) R/3.4.0(default) drive-data/6.2(default) randfold/2.0(default) edena/3.131028(default) rapidminer/7.1.0(default) eigen/3.2.7(default) raxml/8.2.3(default) eman2/2.1(default) relion/1.4(default) emboss/6.5.7(default) rseqc/2.6.4(default) fastqc/0.11.4(default) samtools/1.2 fasttree/2.1.8(default) samtools/1.3(default) fastx/0.0.14(default) scipy/2.7(default) frealign/9.11(default) siesta/4.0(default) fsa/1.15.9(default) singularity/2.6.1(default) gamess/2017.04(default) soapdenovo/240(default) garli/2.01(default) SOAPsnp/1.03(default) gateway-usage-reporting/2.1 spades/3.9.0(default) gaussian/09.D.01(default) spark/1.2.0 gaussian/16.B.01 spark/1.5.2(default) gdal/2.2.0(default) squid/1.9g(default) GenomeAnalysisTK/3.5 stacks/1.37(default) GenomeAnalysisTK/4.0.4.0(default) tophat/2.1.1(default) geos/3.6.1(default) trimmomatic/0.35(default) globus/5.2.5 trinity/2.1.1(default) gmap_gsnap/20151231(default) vasp/4.6 gmp/6.0.0a(default) vasp/5.4.4(default) gnutools/2.69(default) vcftools/0.1.14(default) grace/5.1.25(default) velvet/1.2.10(default) gromacs/2016.3(default) ViennaRNA/2.2.4(default) hadoop/1.2.1 visit/2.9.1(default) hadoop/2.6.0(default) vmd/1.9.3(default) hmmer/3.1b2(default) weka/3.7.12(default) htseq/0.6.1p1(default)
---------------------------------- /usr/share/Modules/modulefiles ---------------------------------- dot module-git module-info modules null use.own
It seems that intel 2015 and 2016 are available. Maybe you have better luck ?
Your problem is an incompatibility between the intel compiler and the gnu libraries. Specifically the algorithm library. There is nothing we can do for you; this should be fixed by your admin.
Very good point! It seems to work with intel 2015! I will check intel 2016 just for curiosity.
Yes it works good. Thanks, I can close the issue.
Dear developpers.
So the compilation with intel2015 went fine.
Still, I have now another issue with running smilei, which seems to be related with parallel HDF5 in the Lustre filesystem (or maybe it is something else I am missing). I plan to post the same issue to the Comet system administrators, but if you have some idea, I would appreciate.
./smilei tst1d_00_em_propagation.py
Best!
Update: If I launch it from a special scratch folder, I don't have anymore the issue. I suppose my home folder was not a proper location to run the tests ;)
Closed. Thanks!
If you have a working configuration for COMET, could you post it here so that we can include it in the known configuration files ?
Sure! Here is a draft of machine file for Comet:
#module purge
#module load gnutools
#module load intel mvapich2_ib
#module load python
#module load hdf5
#module switch intel/2013_sp1.2.144 intel/2015.2.164
#export HDF5_ROOT_DIR=/opt/hdf5/intel-2015.2.164/mvapich2_ib
#export OPENMP_FLAG=-openmp
#make machine=comet config=no_mpi_tm
CXXFLAGS += -xHost -O3 -ip -inline-factor=1000 #-ipo
I am still investigating the optimization of mpi, since it seems to be pretty slow with the benchmarks tests I did so far (much slower on 2 nodes of 24 cores than on one node of 24 cores in another machine)...
Dear Smilei developers,
I try to compile Simlei on the Comet cluster of the San Diego Supercomputer Center. I paste here the content of the commands for the compilation.
git describe --all --long
make env
make config=verbose
echo $LD_LIBRARY_PATH
python -m sysconfig
ldd smilei ldd: ./smilei: No such file or directory
The documentation of Comet is available here if needed: (https://portal.xsede.org/sdsc-comet )
Nothing urges, but if you have a clear idea of the issue, I would greatly appreciate. Thanks for your help!