Dear Amber Developers,
We got an opportunity to use a test server which is equipped with
Intel Xeon Phi 7210 (64 cores) and where the latest Intel Parallel
Studio XE is installed.
Following the Amber manual, we proceeded as
1) cd $AMBERHOME
2) ./configure -mic_offload intel
3) make install
However, at the end, we got the following error message:
mpiifort -ip -O3 -no-prec-div -xHost -DMIC_offload -qopenmp
-qopt-streaming-cache-evict=0 -fimf-domain-exclusion=15 -align array64byte
-o /opt/apps/amber16/bin/pmemd.mic_offload.MPI gbl_constants.o
gbl_datatypes.o state_info.o file_io_dat.o mdin_ctrl_dat.o mdin_emil_dat.o
mdin_ewald_dat.o mdin_debugf_dat.o prmtop_dat.o inpcrd_dat.o dynamics_dat.o
emil.o img.o nbips.o offload_allocation.o parallel_dat.o parallel.o
gb_parallel.o pme_direct.o pme_recip_dat.o pme_slab_recip.o pme_blk_recip.o
pme_slab_fft.o pme_blk_fft.o pme_fft_dat.o fft1d.o bspline.o pme_force.o
pbc.o nb_pairlist.o gb_ene_hybrid.o nb_exclusions.o cit.o dynamics.o
bonds.o angles.o dihedrals.o extra_pnts_nb14.o runmd.o loadbal.o shake.o
prfs.o mol_list.o runmin.o constraints.o axis_optimize.o gb_ene.o veclib.o
gb_force.o timers.o pmemd_lib.o runfiles.o file_io.o AmberNetcdf.o
bintraj.o binrestart.o pmemd_clib.o pmemd.o random.o degcnt.o erfcfun.o
nmr_calls.o nmr_lib.o get_cmdline.o master_setup.o pme_alltasks_setup.o
pme_setup.o ene_frc_splines.o gb_alltasks_setup.o nextprmtop_section.o
angles_ub.o dihedrals_imp.o cmap.o charmm.o charmm_gold.o findmask.o remd.o
multipmemd.o remd_exchg.o amd.o gamd.o ti.o gbsa.o barostats.o scaledMD.o
constantph.o energy_records.o constantph_dat.o relaxmd.o sgld.o emap.o
get_efield_energy.o -L/opt/apps/amber16/lib
/opt/apps/amber16/lib/libnetcdff.a /opt/apps/amber16/lib/libnetcdf.a
-shared-intel /opt/apps/amber16/lib/libemil.a -lstdc++
ifort: warning #10362: Environment configuration problem encountered.
Please check for proper MPSS installation and environment setup.
x86_64-k1om-linux-ld: No such file or directory
make[3]: *** [/opt/apps/amber16/bin/pmemd.mic_offload.MPI] Error 100
make[3]: Leaving directory `/opt/apps/amber16/src/pmemd/src'
make[2]: *** [mic_offload] Error 2
make[2]: Leaving directory `/opt/apps/amber16/src/pmemd'
make[1]: *** [mic_offload] Error 2
make[1]: Leaving directory `/opt/apps/amber16/src'
make: *** [install] Error 2
I just wonder whether this is because 7210 is not officially supported yet,
or because we have some problem in our environment setup.
I would appreciate it very much if you could suggest any idea on this.
Best wishes,
Song-Ho Chong
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Received on Tue Feb 14 2017 - 23:30:02 PST
