I forgot to add in previous email, the only edit I did in the cmake_script was specify the -DCOMPILER=INTEL
> On Mar 8, 2021, at 1:20 PM, Samuel Mohan Dass, Premila <premila.illinois.edu> wrote:
>
> Hi I was trying the Cmake installation and got the following error after typing make_install, could use help:
>
> ifort: error #10105: /jet/packages/intel/compilers_and_libraries_2020.4.304/linux/bin/intel64/fortcom: core dumped
> ifort: warning #10102: unknown signal(21370896)
> ifort: error #10106: Fatal error in /jet/packages/intel/compilers_and_libraries_2020.4.304/linux/bin/intel64/fortcom, terminated by unknown
> compilation aborted for /ocean/projects/mcb200041p/premila/amber20_src/AmberTools/src/sander/ips.F90 (code 1)
> make[2]: *** [AmberTools/src/sander/CMakeFiles/sander_base_obj.dir/build.make:271: AmberTools/src/sander/CMakeFiles/sander_base_obj.dir/ips.F90.o] Error 1
> make[1]: *** [CMakeFiles/Makefile2:2528: AmberTools/src/sander/CMakeFiles/sander_base_obj.dir/all] Error 2
> make: *** [Makefile:152: all] Error 2
>
> The only edit I did in the cmake_script:
>
>
>
> My build report is as following for the make_script:
> Build Report
> -- Compiler Flags:
> -- C No-Opt: -O0
> -- C Optimized: -ip -O3 -xHost
> --
> -- CXX No-Opt: -O0
> -- CXX Optimized: -O3
> --
> -- Fortran No-Opt: -warn all -warn nounused -warn nointerfaces -O0
> -- Fortran Optimized: -warn all -warn nounused -warn nointerfaces -ip -O3 -xHost
> --
> -- 3rd Party Libraries
> -- ---building bundled: -----------------------------------------------------
> -- arpack - for fundamental linear algebra calculations
> -- ucpp - used as a preprocessor for the NAB compiler
> -- netcdf - for creating trajectory data files
> -- netcdf-fortran - for creating trajectory data files from Fortran
> -- xblas - used for high-precision linear algebra calculations
> -- boost - C++ support library
> -- perlmol - chemistry library used by FEW
> -- ---using installed: ------------------------------------------------------
> -- blas - for fundamental linear algebra calculations
> -- lapack - for fundamental linear algebra calculations
> -- fftw - used to do Fourier transforms very quickly
> -- readline - used for the console functionality of cpptraj
> -- zlib - for various compression and decompression tasks
> -- libbz2 - for bzip2 compression in cpptraj
> -- libm - for fundamental math routines if they are not contained in the C library
> -- ---disabled: ------------------------------------------------
> -- c9x-complex - used as a support library on systems that do not have C99 complex.h support
> -- lio - used by Sander to run certain QM routines on the GPU
> -- apbs - used by Sander as an alternate Poisson-Boltzmann equation solver
> -- pupil - used by Sander as an alternate user interface
> -- plumed - used as an alternate MD backend for Sander
> -- mkl - alternate implementation of lapack and blas that is tuned for speed
> -- mbx - computes energies and forces for pmemd with the MB-pol model
>
> -- Features:
> -- MPI: OFF
> -- OpenMP: OFF
> -- CUDA: OFF
> -- Build Shared Libraries: ON
> -- Build GUI Interfaces: ON
> -- Build Python Programs: ON
> -- -Python Interpreter: Internal Miniconda (version 3.8)
> -- Build Perl Programs: ON
> -- Build configuration: RELEASE
> -- Target Processor: x86_64
> -- Build Documentation: OFF
> -- Sander Variants: normal LES API LES-API
> -- Install location: /ocean/projects/mcb200041p/premila/amber20/
> -- Installation of Tests: ON
>
> -- Compilers:
> -- C: Intel 19.1.3.20200925 (/opt/intel/compilers_and_libraries_2020.4.304/linux/bin/intel64/icc)
> -- CXX: Intel 19.1.3.20200925 (/opt/intel/compilers_and_libraries_2020.4.304/linux/bin/intel64/icpc)
> -- Fortran: Intel 19.1.3.20200925 (/opt/intel/compilers_and_libraries_2020.4.304/linux/bin/intel64/ifort)
>
> -- Building Tools:
> -- addles amberlite ambpdb antechamber cifparse cphstats cpptraj emil etc few gbnsr6 gem.pmemd leap lib mdgx mm_pbsa mmpbsa_py moft nab ndiff-2.00 nfe-umbrella-slice nmode nmr_aux packmol_memgen paramfit parmed pbsa pdb4amber pmemd pymsmt pysander pytraj reduce rism sander saxs sebomd sff sqm xray xtalutil
>
> -- NOT Building Tools:
> -- quick - In-development programs are disabled.
> -- pymdgx - In-development programs are disabled.
> -- gpu_utils - Requires CUDA
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Received on Mon Mar 08 2021 - 11:30:02 PST
