SCIENTIFIC COMPUTING & VISUALIZATION

• Sequential MD program: md.c, md.h, md.in
• Linked-list cell MD program: lmd.c, lmd.h, lmd.in
• MPI basics: mpi_simple.c, mpi_comm.c, irecv_comm.c, mpi_simple_sample.sl
• Parallel MD program: pmd.c, pmd.h, pmd.in; useful extensions by Prof. Ken-ichi Nomura
• OpenMP basics: omp_example.c, omp_example_set.c, omp_pi_critical.c, omp_pi.c
• Hybrid MPI+OpenMP: hpi.c
• Visualizing MD simulation: atomv.c, atomv.h, md.conf, makefile-Mac, userb.tcl, MoSe2-hole.cube, ball.c
• CUDA basics: pi.cu, pdf0.c, pos.d, hypi_setdevice.cu
• OpenMP target offload: omp_target_pi.c
• SYCL: pi.cpp
• Quantum dynamics: qd.c, qd.h, qd.in; qd1.c, qd1.h, qd1.in