Task 38689042
| Name | test_328-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND7091_0 |
| Workunit | 31630323 |
| Created | 28 Oct 2026, 17:52:23 UTC |
| Sent | 28 Oct 2026, 17:52:24 UTC |
| Report deadline | 2 Nov 2026, 17:52:24 UTC |
| Received | 28 Oct 2026, 18:20:46 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 641444 |
| Run time | 27 min 52 sec |
| CPU time | 25 min 6 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 29,502.51 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 731.32 MB |
| Peak swap size | 5.42 GB |
| Peak disk usage | 3.46 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:53:47 (35320): wrapper (7.9.26016): starting
18:53:47 (35320): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
18:53:50 (35320): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:53:50 (35320): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
WARNING: The script pyaml.exe is installed in 'D:\Boinc\slots\7\Scripts' which is not on PATH.
Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
WARNING: The scripts abfe_production.exe, abfe_structprep.exe, make_atm_system_from_amber.exe, make_atm_system_from_pdb.exe, make_atm_system_from_rcpt_lig.exe, rbfe_production.exe and rbfe_structprep.exe are installed in 'D:\Boinc\slots\7\Scripts' which is not on PATH.
Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
tar: run.log: file changed as we read it
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
19:20:24 (35320): C:/Windows/system32/cmd.exe exited; CPU time 1506.937500
19:20:24 (35320): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 bytes in 6 Normal Blocks.
1144 bytes in 1 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 32899381 bytes.
Dumping objects ->
{3835502} normal block at 0x00000162180288A0, 48 bytes long.
Data: <PATH=D:\Boinc\sl> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 5C 73 6C
{3835491} normal block at 0x0000016219B70070, 32 bytes long.
Data: <HOME=D:\Boinc\sl> 48 4F 4D 45 3D 44 3A 5C 42 6F 69 6E 63 5C 73 6C
{3835480} normal block at 0x0000016219B6F350, 32 bytes long.
Data: <TMP=D:\Boinc\slo> 54 4D 50 3D 44 3A 5C 42 6F 69 6E 63 5C 73 6C 6F
{3835469} normal block at 0x0000016219B6FAD0, 32 bytes long.
Data: <TEMP=D:\Boinc\sl> 54 45 4D 50 3D 44 3A 5C 42 6F 69 6E 63 5C 73 6C
{3835458} normal block at 0x0000016219B6FA70, 32 bytes long.
Data: <TMPDIR=D:\Boinc\> 54 4D 50 44 49 52 3D 44 3A 5C 42 6F 69 6E 63 5C
{3835427} normal block at 0x00000162180289F0, 48 bytes long.
Data: <PATH=D:\Boinc\sl> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 5C 73 6C
..\api\boinc_api.cpp(309) : {3835414} normal block at 0x0000016217FFD670, 8 bytes long.
Data: < Ä b > 00 00 C4 19 62 01 00 00
{3833969} normal block at 0x0000016217FFCF90, 8 bytes long.
Data: <`㢠b > 60 E3 A2 19 62 01 00 00
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x00000162180016E0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x0000016217FF59E0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{300} normal block at 0x0000016218005780, 16 bytes long.
Data: <èb b > E8 62 00 18 62 01 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x0000016218005E60, 16 bytes long.
Data: <Àb b > C0 62 00 18 62 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000016217FFE7A0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{297} normal block at 0x0000016218005500, 16 bytes long.
Data: < b b > 98 62 00 18 62 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000016218005190, 16 bytes long.
Data: <pb b > 70 62 00 18 62 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000016218005370, 16 bytes long.
Data: <Hb b > 48 62 00 18 62 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000016218005DC0, 16 bytes long.
Data: < b b > 20 62 00 18 62 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000016217FFF450, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{292} normal block at 0x00000162180050A0, 16 bytes long.
Data: <(öþ b > 28 F6 FE 17 62 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000016217FFEFE0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{290} normal block at 0x00000162180051E0, 16 bytes long.
Data: < öþ b > 00 F6 FE 17 62 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000016218005000, 16 bytes long.
Data: <Øõþ b > D8 F5 FE 17 62 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000016218005D20, 16 bytes long.
Data: <°õþ b > B0 F5 FE 17 62 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000016218005C80, 16 bytes long.
Data: < õþ b > 88 F5 FE 17 62 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000016218005460, 16 bytes long.
Data: <`õþ b > 60 F5 FE 17 62 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000162180056E0, 16 bytes long.
Data: <8õþ b > 38 F5 FE 17 62 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000016217FFE920, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{282} normal block at 0x0000016218005320, 16 bytes long.
Data: < õþ b > 10 F5 FE 17 62 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000016217FEF510, 320 bytes long.
Data: < S b éÿ b > 20 53 00 18 62 01 00 00 20 E9 FF 17 62 01 00 00
{280} normal block at 0x00000162180050F0, 16 bytes long.
Data: < b b > 00 62 00 18 62 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000016218005B40, 16 bytes long.
Data: <Øa b > D8 61 00 18 62 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000016217FFEA40, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{277} normal block at 0x0000016218005EB0, 16 bytes long.
Data: <°a b > B0 61 00 18 62 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000016217FFE980, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{275} normal block at 0x0000016218005C30, 16 bytes long.
Data: <ø` b > F8 60 00 18 62 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000016218005140, 16 bytes long.
Data: <Ð` b > D0 60 00 18 62 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000016218005CD0, 16 bytes long.
Data: <¨` b > A8 60 00 18 62 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000016218005AA0, 16 bytes long.
Data: < ` b > 80 60 00 18 62 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000016218005D70, 16 bytes long.
Data: <X` b > 58 60 00 18 62 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000016218005E10, 16 bytes long.
Data: <0` b > 30 60 00 18 62 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000016218005410, 16 bytes long.
Data: < úÿ b > 00 FA FF 17 62 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000016217FFFA00, 40 bytes long.
Data: < T b ð‰ b > 10 54 00 18 62 01 00 00 F0 89 02 18 62 01 00 00
{266} normal block at 0x0000016218005690, 16 bytes long.
Data: < ` b > 10 60 00 18 62 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000016218005BE0, 16 bytes long.
Data: <è_ b > E8 5F 00 18 62 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000016217FFEE60, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{263} normal block at 0x0000016218005A50, 16 bytes long.
Data: <À_ b > C0 5F 00 18 62 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000016218005FC0, 992 bytes long.
Data: <PZ b `îÿ b > 50 5A 00 18 62 01 00 00 60 EE FF 17 62 01 00 00
{98} normal block at 0x0000016217FFE560, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{97} normal block at 0x0000016217FFCE00, 16 bytes long.
Data: <°øÿ b > B0 F8 FF 17 62 01 00 00 00 00 00 00 00 00 00 00
{96} normal block at 0x0000016217FFF8B0, 40 bytes long.
Data: < Îÿ b `åÿ b > 00 CE FF 17 62 01 00 00 60 E5 FF 17 62 01 00 00
{75} normal block at 0x0000016217FFD170, 16 bytes long.
Data: < êâ•÷ > 80 EA E2 95 F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x0000016217FFD620, 16 bytes long.
Data: <@éâ•÷ > 40 E9 E2 95 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x0000016217FFCDB0, 16 bytes long.
Data: <øWß•÷ > F8 57 DF 95 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000016217FFCCC0, 16 bytes long.
Data: <ØWß•÷ > D8 57 DF 95 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000016217FFD3A0, 16 bytes long.
Data: <P ß•÷ > 50 04 DF 95 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000016217FFD580, 16 bytes long.
Data: <0 ß•÷ > 30 04 DF 95 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000016217FFCD10, 16 bytes long.
Data: <à ß•÷ > E0 02 DF 95 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000016217FFCEF0, 16 bytes long.
Data: < ß•÷ > 10 04 DF 95 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000016217FFD800, 16 bytes long.
Data: <p ß•÷ > 70 04 DF 95 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000016217FFCEA0, 16 bytes long.
Data: < ÀÝ•÷ > 18 C0 DD 95 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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