Skip to content

Commit 4b6ce1c

Browse files
chengleizhengchengleizheng
chengleizheng
and
chengleizheng
authored
add 01_PW to GPU CI test suite (#7690)
* add 01_PW to GPU CI test suite * Update CASES_GPU.txt * update CASES_GPU.txt again * update CASES_GPU.txt 3 --------- Co-authored-by: chengleizheng <you@example.com>
1 parent df6b782 commit 4b6ce1c

2 files changed

Lines changed: 141 additions & 0 deletions

File tree

‎.github/workflows/cuda.yml‎

Lines changed: 12 additions & 0 deletions
Original file line numberDiff line numberDiff line change
@@ -74,3 +74,15 @@ jobs:
7474
run: |
7575
cd tests/16_SDFT_GPU
7676
bash ../integrate/Autotest.sh -n 2 -f CASES_GPU.txt
77+
78+
- name: Test 01_PW on GPU
79+
run: |
80+
cd tests/01_PW
81+
find . -name INPUT | while read f; do
82+
if grep -q "^device" "$f"; then
83+
sed -i 's/^device.*/device gpu/' "$f"
84+
else
85+
echo "device gpu" >> "$f"
86+
fi
87+
done
88+
bash ../integrate/Autotest.sh -n 1 -a abacus -f CASES_GPU.txt

‎tests/01_PW/CASES_GPU.txt‎

Lines changed: 129 additions & 0 deletions
Original file line numberDiff line numberDiff line change
@@ -0,0 +1,129 @@
1+
nscf_out_pot
2+
scf_out_elf
3+
#scf_out_ldos
4+
#scf_out_chg_tau
5+
001_PW_UPF100_Al
6+
002_PW_UPF100_RAPPE_Fe
7+
003_PW_UPF100_USPP_Fe
8+
004_PW_UPF201_Si
9+
005_PW_UPF201_UPF100
10+
006_PW_UPF201_Eu
11+
#007_PW_UPF201_USPP_Fe
12+
008_PW_UPF201_USPP_NaCl
13+
009_PW_UPF201_USPP
14+
010_PW_0TYPE
15+
011_PW_0ATOM
16+
012_PW_DJ
17+
013_PW_ONCV_LDA
18+
014_PW_UPF201_BLPS
19+
015_PW_GTH
20+
#016_PW_BLPS
21+
#017_PW_LPS6
22+
#018_PW_LPS8
23+
#019_PW_Coulomb
24+
020_PW_kspace
25+
021_PW_kspace3
26+
022_PW_CG
27+
023_PW_DA
28+
024_PW_DS
29+
025_PW_DS_sca
30+
#026_PW_KPAR
31+
027_PW_PINT_RKS
32+
028_PW_PINT_UKS
33+
029_PW_15_CF_CS_S1_smallg
34+
030_PW_15_CF_CS_S2_smallg
35+
031_PW_15_CF_CS
36+
032_PW_15_CF_CS_bspline
37+
033_PW_CF_CS_S1_smallg
38+
034_PW_CF_CS_S2_smallg
39+
035_PW_15_SO
40+
036_PW_AF
41+
037_PW_FM
42+
#038_PW_NC
43+
039_PW_FD_smear
44+
040_PW_FX_smear
45+
041_PW_GA_smear
46+
042_PW_M2_smear
47+
043_PW_MP_smear
48+
044_PW_MV_smear
49+
045_PW_BD_chgmix
50+
046_PW_KK_chgmix
51+
047_PW_PK_chgmix
52+
048_PW_PL_chgmix
53+
049_PW_PU_chgmix
54+
050_PW_CHG_mismatch
55+
051_PW_OBOD_MemSaver
56+
#052_PW_OB
57+
053_PW_OD
58+
#055_PW_OW
59+
056_PW_IW
60+
#057_PW_SO_IW
61+
058_PW_RE_MB
62+
059_PW_RE_MB_traj
63+
060_PW_RE_MG
64+
#061_PW_RE_NEW
65+
#062_PW_RE_PINT_RKS
66+
#063_PW_CR
67+
#064_PW_CR_fix_a
68+
#065_PW_CR_fix_ab
69+
066_PW_CR_fix_abc
70+
#067_PW_CR_fix_ac
71+
#068_PW_CR_fix_b
72+
#069_PW_CR_fix_bc
73+
#070_PW_CR_fix_c
74+
#071_PW_CR_move
75+
073_PW_SY
76+
074_PW_SY_LiRH
77+
075_PW_CHG_BINARY
78+
076_PW_elec_add
79+
077_PW_elec_minus
80+
078_PW_S2_elec_add
81+
079_PW_S2_elec_minus
82+
080_PW_dipole
83+
081_PW_efield
84+
082_PW_gatefield
85+
083_PW_sol_H2
86+
084_PW_sol_H2O
87+
085_PW_get_pchg
88+
#086_PW_get_wf
89+
#087_PW_get_pchg_kpar
90+
#088_PW_get_pchg_sepk
91+
#089_PW_get_wf_kpar
92+
090_PW_VWR
93+
091_PW_CR_VDW3
94+
#092_PW_MSST
95+
#093_PW_MSST2
96+
094_PW_NPT
97+
#095_PW_NVT
98+
#096_PW_PBE0
99+
#096_PW_PBE0_AFM
100+
#096_PW_PBE0_FM
101+
098_PW_15_SO_avg
102+
#099_PW_DJ_SO
103+
#100_PW_W90
104+
101_PW_MD_1O
105+
102_PW_MD_2O
106+
#103_PW_Gene_Descriptors
107+
#201_PW_UPF201_Ce_f
108+
#202_PW_ONCV_Libxc
109+
#204_PW_SY
110+
#205_PW_SCAN
111+
#206_PW_SCAN_S2
112+
#207_PW_skip
113+
#208_PW_CG_float
114+
209_PW_DFTHALF
115+
210_PW_kspace_shift
116+
#801_PW_LT_sc
117+
#802_PW_LT_fcc
118+
#803_PW_LT_bcc
119+
#804_PW_LT_hex
120+
#805_PW_LT_trigonal
121+
#806_PW_LT_st
122+
#807_PW_LT_bct
123+
#808_PW_LT_so
124+
#809_PW_LT_baco
125+
#810_PW_LT_fco
126+
#811_PW_LT_bco
127+
#812_PW_LT_sm
128+
#813_PW_LT_bacm
129+
#814_PW_LT_triclinic

0 commit comments

Comments
 (0)