INTEL and NVIDIA compile option (using CMAKE)

cmake ../cmake -D BUILD_MPI=ON -D BUILD_OMP=ON -D CMAKE_C_COMPILER=icx -DCMAKE_CXX_COMPILER=icpx -D GPU_API=cuda -D GPU_ARCH=sm_61

 

 컴파일 대상 시스템 정보이다.

Architecture:             x86_64
  CPU op-mode(s):         32-bit, 64-bit
  Address sizes:          46 bits physical, 48 bits virtual
  Byte Order:             Little Endian
CPU(s):                   96
  On-line CPU(s) list:    0-95
Vendor ID:                GenuineIntel
  Model name:             Intel(R) Xeon(R) Gold 6252 CPU @ 2.10GHz
    CPU family:           6
    Model:                85
    Thread(s) per core:   2
    Core(s) per socket:   24
    Socket(s):            2
    Stepping:             7
    CPU max MHz:          3700.0000
    CPU min MHz:          1000.0000
    BogoMIPS:             4200.00
    Flags:                fpu vme de pse tsc msr pae mce cx8 apic sep mtrr pge mca cmov pat pse36 clflush dts acpi mmx fxsr sse sse2 ss ht tm pbe syscall nx pdpe1gb rdtscp lm constant_tsc art arch_perfmon pebs bts rep_good nopl xto
                          pology nonstop_tsc cpuid aperfmperf pni pclmulqdq dtes64 monitor ds_cpl vmx smx est tm2 ssse3 sdbg fma cx16 xtpr pdcm pcid dca sse4_1 sse4_2 x2apic movbe popcnt tsc_deadline_timer aes xsave avx f16c rdrand
                           lahf_lm abm 3dnowprefetch cpuid_fault epb cat_l3 cdp_l3 intel_ppin ssbd mba ibrs ibpb stibp ibrs_enhanced tpr_shadow flexpriority ept vpid ept_ad fsgsbase tsc_adjust bmi1 avx2 smep bmi2 erms invpcid cqm m
                          px rdt_a avx512f avx512dq rdseed adx smap clflushopt clwb intel_pt avx512cd avx512bw avx512vl xsaveopt xsavec xgetbv1 xsaves cqm_llc cqm_occup_llc cqm_mbm_total cqm_mbm_local dtherm ida arat pln pts hwp hw
                          p_act_window hwp_epp hwp_pkg_req vnmi pku ospke avx512_vnni md_clear flush_l1d arch_capabilities
Virtualization features:
  Virtualization:         VT-x
Caches (sum of all):
  L1d:                    1.5 MiB (48 instances)
  L1i:                    1.5 MiB (48 instances)
  L2:                     48 MiB (48 instances)
  L3:                     71.5 MiB (2 instances)
NUMA:
  NUMA node(s):           4
  NUMA node0 CPU(s):      0-3,7,8,12-14,18-20,48-51,55,56,60-62,66-68
  NUMA node1 CPU(s):      4-6,9-11,15-17,21-23,52-54,57-59,63-65,69-71
  NUMA node2 CPU(s):      24-27,31-33,37-39,43,44,72-75,79-81,85-87,91,92
  NUMA node3 CPU(s):      28-30,34-36,40-42,45-47,76-78,82-84,88-90,93-95
Vulnerabilities:
  Gather data sampling:   Mitigation; Microcode
  Itlb multihit:          KVM: Mitigation: VMX disabled
  L1tf:                   Not affected
  Mds:                    Not affected
  Meltdown:               Not affected
  Mmio stale data:        Mitigation; Clear CPU buffers; SMT vulnerable
  Reg file data sampling: Not affected
  Retbleed:               Mitigation; Enhanced IBRS
  Spec rstack overflow:   Not affected
  Spec store bypass:      Mitigation; Speculative Store Bypass disabled via prctl
  Spectre v1:             Mitigation; usercopy/swapgs barriers and __user pointer sanitization
  Spectre v2:             Mitigation; Enhanced / Automatic IBRS; IBPB conditional; RSB filling; PBRSB-eIBRS SW sequence; BHI SW loop, KVM SW loop
  Srbds:                  Not affected
  Tsx async abort:        Mitigation; TSX disabled

+-----------------------------------------------------------------------------------------+
| NVIDIA-SMI 550.127.05             Driver Version: 550.127.05     CUDA Version: 12.4     |
|-----------------------------------------+------------------------+----------------------+
| GPU  Name                 Persistence-M | Bus-Id          Disp.A | Volatile Uncorr. ECC |
| Fan  Temp   Perf          Pwr:Usage/Cap |           Memory-Usage | GPU-Util  Compute M. |
|                                         |                        |               MIG M. |
|=========================================+========================+======================|
|   0  Quadro P2200                   Off |   00000000:2D:00.0  On |                  N/A |
| 44%   30C    P8              7W /   75W |    1053MiB /   5120MiB |      0%      Default |
|                                         |                        |                  N/A |
+-----------------------------------------+------------------------+----------------------+

+-----------------------------------------------------------------------------------------+
| Processes:                                                                              |
|  GPU   GI   CI        PID   Type   Process name                              GPU Memory |
|        ID   ID                                                               Usage      |
|=========================================================================================|
|    0   N/A  N/A      2773      G   /usr/lib/xorg/Xorg                            425MiB |
|    0   N/A  N/A      2931    C+G   ...libexec/gnome-remote-desktop-daemon        221MiB |
|    0   N/A  N/A      2994      G   /usr/bin/gnome-shell                          278MiB |
|    0   N/A  N/A      7264      G   ...seed-version=20241121-182614.093000        120MiB |
+-----------------------------------------------------------------------------------------+

 

cmake --build .

 

이걸로 안 끝난다. LAMMPS는 좀 복잡한 놈이다. install을 추가 해야 한다.

make install

 

이러면 

/home/hp-z8/.local/bin

 

여기에 실행화일이 설치 되는데, LAMMPS는 mpiexec 또는 mpirun을 실행시 "<" 는 작동하지 않고, "-in" 옵션을 사용하여야 한다.

또한, Full path로 실행하여야 하는데 이게 싫다면 bunary 파일들에 대한 path를 지정하여야 한다.

 

export PATH=$PATH:/home/hp-z8/.local/bin

 

하다보니 옵션이 추가 되었다.

cmake ../cmake -D BUILD_MPI=ON -D BUILD_OMP=ON -D CMAKE_C_COMPILER=icx -D CMAKE_CXX_COMPILER=icpx -D GPU_API=cuda -D GPU_ARCH=sm_61 -D PKG_VTK=yes -D PKG_NAME=GRANULAR

 

cmake를 이용하여 다시 build를 하려면, build 디렉토리를 삭제한다.