Phase 4b common

common/p4h_h100.sh

@@ -0,0 +1,14 @@
+#!/bin/bash
+# Phase 4b (2026-09-05): the Phase-4 protocol on a rented H100 NVL with ljmd_cuda_v9 and per-atom snapshots every 20 tau.
+# Runs in ~/rahman on the instance; binaries built there with -arch=sm_90. Same seeds/protocol as runs/p3/p3h.sh + --dump 5000.
+cd ~/rahman || exit 1
+B=./ljmd_cuda_v91
+[ -f runs/e120_eq.restart ] || $B --mode sphere --out runs/p4_eq120 --Rtot 120 --eq 8000 --nveadj 2 --seed 1200 --heat 0 --run 0 --restart_out runs/e120_eq.restart > runs/p4_eq120.log 2>&1
+for m in 0 1 2 3 4 5 6 7; do  # + the dt=0.002 member below
+  $B --mode sphere --out runs/p4h_m$m --Rtot 120 --sfrac 0.2 --dT 0.166667 --tauheat 0.1 --heat 35000 --ramp 25000 --run 250000 --avg 250 --shellevery 5 --shell 0.2 --dump 5000 --ckpt 50000 --restart_out runs/p4h_m$m.ckpt --restart_in runs/e120_eq.restart --reseed --reeq 500 --nveadj 2 --nveadjsteps 1000 --seed $((4800+m)) > runs/p4h_m$m.log 2>&1
+  echo done > runs/p4h_m$m.done
+done
+echo done > runs/p4h.done
+# extra member at dt = 0.002 (review_physics #3: origin of the PE drift), same physical times: heat 70000 (ramp 50000), NVE 500000 steps
+$B --mode sphere --out runs/p4h_dt002 --Rtot 120 --sfrac 0.2 --dT 0.166667 --tauheat 0.1 --dt 0.002 --heat 70000 --ramp 50000 --run 500000 --avg 500 --shellevery 10 --shell 0.2 --ckpt 100000 --restart_out runs/p4h_dt002.ckpt --restart_in runs/e120_eq.restart --reseed --reeq 1000 --nveadj 2 --nveadjsteps 2000 --seed 4808 > runs/p4h_dt002.log 2>&1
+echo done > runs/p4h_dt002.done