mirror of https://github.com/abinit/abinit.git
78 lines
3.6 KiB
Python
78 lines
3.6 KiB
Python
"""Global variables associated to the test suite."""
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#: List of CPP variables that should be defined in config.h in order to enable this suite.
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need_cpp_vars = [
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"HAVE_GPU",
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"HAVE_OPENMP_OFFLOAD",
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]
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#: List of keywords that are automatically added to all the tests of this suite.
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keywords = [
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]
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#: This suite contains tests executed with different numbers of MPI processes.
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is_multi_parallel = True
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#: List of input files
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inp_files = [
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"t01.abi",
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"t02.abi",
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"t03.abi", # test CHEBFI (istwfk==1, npband==1, paral_kgb==1)
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"t04.abi", # test CHEBFI (istwfk==2, npband==1, paral_kgb==1)
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"t05.abi", # test LOBPCG (istwfk==1, npband==1, paral_kgb==1)
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"t06.abi", # test LOBPCG (istwfk==2, npband==1, paral_kgb==1)
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"t07.abi", # test CHEBFI (istwfk==1, npband==2, paral_kgb==1)
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"t08.abi", # test CHEBFI (istwfk==2, npband==2, paral_kgb==1)
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"t09.abi", # test LOBPCG (istwfk==1, npband==2, paral_kgb==1)
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"t10.abi", # test LOBPCG (istwfk==2, npband==2, paral_kgb==1)
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"t11.abi", # test CHEBFI (istwfk==1, npband==1, paral_kgb==0)
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"t12.abi", # test CHEBFI (istwfk==2, npband==1, paral_kgb==0)
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"t13.abi", # test LOBPCG (istwfk==1, npband==1, paral_kgb==0)
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"t14.abi", # test LOBPCG (istwfk==2, npband==1, paral_kgb==0)
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#Norm-conserving
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"t15.abi", # test CHEBFI (istwfk==1, npband==1, paral_kgb==0)
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"t16.abi", # test LOBPCG (istwfk==1, npband==1, paral_kgb==0)
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#old lobppcg/chebfi (wfoptalg=={4,14}
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"t17.abi", # test LOBPCG (istwfk==1, npband==1, paral_kgb==0)
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"t18.abi", # test LOBPCG (istwfk==2, npband==1, paral_kgb==0)
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"t19.abi", # test LOBPCG (istwfk==1, npband==1, paral_kgb==0)
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"t20.abi", # test LOBPCG (istwfk==2, npband==1, paral_kgb==0)
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#DFPT
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"t21.abi", # test respfn for phonons and electric field, no qpt
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"t22.abi", # prep for t23, t24
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"t23.abi", # test respfn for phonons and electric field, with qpt (GEMM nonlop CPU)
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"t24.abi", # test respfn for phonons and electric field, with qpt
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"t25.abi", # test respfn for stresses, no qpt
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#Fock
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"t26.abi", # Silicium, norm-conserving
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"t27.abi", # Silicium, PAW
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"t28.abi", # Methane, PAW
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"t29.abi", # Helium, single-band, istwfk==2
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#nspinor==2 (and nspden==4 sometimes)
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"t30.abi", # PAW, GS, using CHEBFI and LOBPCG (AlP, nspinor==2, nspden==1)
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"t31.abi", # PAW, GS+DFPT, only DDK (AlP, nspinor==2, nspden==1)
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"t32.abi", # PAW, GS, old LOBPCG, (NiO, nspinor==1, paral_kgb==0)
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"t33.abi", # PAW, GS, old LOBPCG, (NiO, nspinor==2, nspden==4, paral_kgb==0)
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"t34.abi", # PAW, GS, LOBPCG2, (NiO, nspinor==2, nspden==4, paral_kgb==1)
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"t35.abi", # PAW, GS, CGWF, (Fe, nspinor==2, nspden==4, paral_kgb==0), with fixed_occ
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"t36.abi", # NC, GS, CGWF, mGGA (Si, nspinor==2, nspden==4)
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"t37.abi", # NC, GS, CGWF, (H, nspinor==2, nspden==4)
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"t38.abi", # PAW, GS, CGWF, (Fe, nspinor==2, nspden==4, paral_kgb==0)
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"t39.abi", # NC, GS+DFPT, CGWF, phon+elfd+effmas (CaO, nspinor==1)
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"t40.abi", # NC, GS+DFPT, CGWF, phon+elfd+strs (AlAs, nspinor==1)
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"t41.abi", # PAW, GS, LOBPCG2, (NiO, nspinor==2, nspden==4, paral_kgb==1, npband==2)
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#GS with distributed/sliced GEMM nonlop
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"t42.abi", # test CHEBFI (istwfk==1, npband==2, paral_kgb==1, gpu_nl_splitsize=2, gpu_nl_distrib=1)
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"t43.abi", # test CHEBFI (istwfk==2, npband==2, paral_kgb==1, gpu_nl_splitsize=2, gpu_nl_distrib=1)
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"t44.abi", # test CHEBFI (istwfk==1, npband==1, paral_kgb==1, gpu_nl_splitsize=4)
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"t45.abi", # test CHEBFI (istwfk==2, npband==1, paral_kgb==1, gpu_nl_splitsize=4)
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#DMFT
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"t46.abi", # Ni+O, nsppol==2, nspden==2
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"t47.abi", # Gd, nsppol==2, nspden==2
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"t48.abi", # Gd, nsppol==1, nspden==4, nspinor==2
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"t49.abi", # Ce, GS LDA, dtset#1
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"t50.abi", # Ce, DMFT CTQMC, dtset#2
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#Other
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"t51.abi", # test CHEBFI (istwfk==1, npband==1, paral_kgb==1) with gpu_thread_limit set to 64
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]
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