Task 38655656
| Name | test_351-GPUGRID_TEST_ATM_4STEP_20261023-3-4-RND6672_0 |
| Workunit | 31599409 |
| Created | 24 Oct 2026, 9:48:16 UTC |
| Sent | 24 Oct 2026, 9:48:20 UTC |
| Report deadline | 29 Oct 2026, 9:48:20 UTC |
| Received | 24 Oct 2026, 12:42:55 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 653922 |
| Run time | 1 hours 13 min 27 sec |
| CPU time | 1 hours 7 min 19 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 9,073.70 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 675.03 MB |
| Peak swap size | 2.28 GB |
| Peak disk usage | 3.76 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
13:30:48 (7984): wrapper (7.9.26016): starting
13:30:48 (7984): 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
13:30:53 (7984): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:30:53 (7984): 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\data\slots\1\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\data\slots\1\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
14:42:23 (7984): C:/Windows/system32/cmd.exe exited; CPU time 4039.421875
14:42:23 (7984): 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: 42816323 bytes.
Dumping objects ->
{3835414} normal block at 0x00000223778EE680, 48 bytes long.
Data: <PATH=D:\boinc\da> 50 41 54 48 3D 44 3A 5C 62 6F 69 6E 63 5C 64 61
{3835403} normal block at 0x0000022379560BA0, 32 bytes long.
Data: <HOME=D:\boinc\da> 48 4F 4D 45 3D 44 3A 5C 62 6F 69 6E 63 5C 64 61
{3835392} normal block at 0x0000022379561D40, 32 bytes long.
Data: <TMP=D:\boinc\dat> 54 4D 50 3D 44 3A 5C 62 6F 69 6E 63 5C 64 61 74
{3835381} normal block at 0x00000223795609C0, 32 bytes long.
Data: <TEMP=D:\boinc\da> 54 45 4D 50 3D 44 3A 5C 62 6F 69 6E 63 5C 64 61
{3835370} normal block at 0x0000022379560D20, 32 bytes long.
Data: <TMPDIR=D:\boinc\> 54 4D 50 44 49 52 3D 44 3A 5C 62 6F 69 6E 63 5C
{3835339} normal block at 0x00000223778EE610, 48 bytes long.
Data: <PATH=D:\boinc\da> 50 41 54 48 3D 44 3A 5C 62 6F 69 6E 63 5C 64 61
..\api\boinc_api.cpp(309) : {3835326} normal block at 0x00000223778E6100, 8 bytes long.
Data: < Œw# > 00 00 8C 77 23 02 00 00
{3833945} normal block at 0x00000223778E6650, 8 bytes long.
Data: <Ð` w# > D0 60 8D 77 23 02 00 00
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x00000223778ED350, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000223778EED20, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{288} normal block at 0x00000223778EF9B0, 16 bytes long.
Data: <¸ w# > B8 06 8F 77 23 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000223778EFC80, 16 bytes long.
Data: < w# > 90 06 8F 77 23 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000223778EA3E0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{285} normal block at 0x00000223778EF140, 16 bytes long.
Data: <h w# > 68 06 8F 77 23 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000223778EF640, 16 bytes long.
Data: <@ w# > 40 06 8F 77 23 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000223778EF5F0, 16 bytes long.
Data: < w# > 18 06 8F 77 23 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000223778EEE70, 16 bytes long.
Data: <ð w# > F0 05 8F 77 23 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000223778EE7D0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{280} normal block at 0x00000223778EFC30, 16 bytes long.
Data: <¸ìŽw# > B8 EC 8E 77 23 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000223778EA380, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{278} normal block at 0x00000223778EFAA0, 16 bytes long.
Data: < ìŽw# > 90 EC 8E 77 23 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000223778EEFB0, 16 bytes long.
Data: <hìŽw# > 68 EC 8E 77 23 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000223778EF960, 16 bytes long.
Data: <@ìŽw# > 40 EC 8E 77 23 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000223778EF5A0, 16 bytes long.
Data: < ìŽw# > 18 EC 8E 77 23 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000223778EF2D0, 16 bytes long.
Data: <ðëŽw# > F0 EB 8E 77 23 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000223778EEE20, 16 bytes long.
Data: <ÈëŽw# > C8 EB 8E 77 23 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000223778E9FC0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{270} normal block at 0x00000223778EF1E0, 16 bytes long.
Data: < ëŽw# > A0 EB 8E 77 23 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000223778EEBA0, 320 bytes long.
Data: <àñŽw# ÀŸŽw# > E0 F1 8E 77 23 02 00 00 C0 9F 8E 77 23 02 00 00
{268} normal block at 0x00000223778EFBE0, 16 bytes long.
Data: <Ð w# > D0 05 8F 77 23 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000223778EFA50, 16 bytes long.
Data: <¨ w# > A8 05 8F 77 23 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000223778EA620, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{265} normal block at 0x00000223778EFAF0, 16 bytes long.
Data: < w# > 80 05 8F 77 23 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000223778EA4A0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{263} normal block at 0x00000223778EF6E0, 16 bytes long.
Data: <È w# > C8 04 8F 77 23 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000223778EF550, 16 bytes long.
Data: <  w# > A0 04 8F 77 23 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000223778EF280, 16 bytes long.
Data: <x w# > 78 04 8F 77 23 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000223778EF910, 16 bytes long.
Data: <P w# > 50 04 8F 77 23 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000223778EF0A0, 16 bytes long.
Data: <( w# > 28 04 8F 77 23 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000223778EEF60, 16 bytes long.
Data: < w# > 00 04 8F 77 23 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x00000223778EEF10, 16 bytes long.
Data: <PäŽw# > 50 E4 8E 77 23 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x00000223778EE450, 40 bytes long.
Data: < ïŽw# æŽw# > 10 EF 8E 77 23 02 00 00 10 E6 8E 77 23 02 00 00
{254} normal block at 0x00000223778EEEC0, 16 bytes long.
Data: <à w# > E0 03 8F 77 23 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x00000223778EF0F0, 16 bytes long.
Data: <¸ w# > B8 03 8F 77 23 02 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x00000223778EA320, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{251} normal block at 0x00000223778EF4B0, 16 bytes long.
Data: < w# > 90 03 8F 77 23 02 00 00 00 00 00 00 00 00 00 00
{250} normal block at 0x00000223778F0390, 992 bytes long.
Data: <°ôŽw# £Žw# > B0 F4 8E 77 23 02 00 00 20 A3 8E 77 23 02 00 00
{86} normal block at 0x00000223778EA080, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{85} normal block at 0x00000223778E5A20, 16 bytes long.
Data: <@* w# > 40 2A 8D 77 23 02 00 00 00 00 00 00 00 00 00 00
{84} normal block at 0x00000223778D2A40, 40 bytes long.
Data: < ZŽw#  Žw# > 20 5A 8E 77 23 02 00 00 80 A0 8E 77 23 02 00 00
{63} normal block at 0x00000223778E61A0, 16 bytes long.
Data: < êÓÍ÷ > 80 EA D3 CD F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000223778E5CA0, 16 bytes long.
Data: <@éÓÍ÷ > 40 E9 D3 CD F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000223778E5930, 16 bytes long.
Data: <øWÐÍ÷ > F8 57 D0 CD F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000223778E6330, 16 bytes long.
Data: <ØWÐÍ÷ > D8 57 D0 CD F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x00000223778E5AC0, 16 bytes long.
Data: <P ÐÍ÷ > 50 04 D0 CD F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x00000223778E6600, 16 bytes long.
Data: <0 ÐÍ÷ > 30 04 D0 CD F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x00000223778E58E0, 16 bytes long.
Data: <à ÐÍ÷ > E0 02 D0 CD F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x00000223778E5ED0, 16 bytes long.
Data: < ÐÍ÷ > 10 04 D0 CD F7 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x00000223778E5840, 16 bytes long.
Data: <p ÐÍ÷ > 70 04 D0 CD F7 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x00000223778E5C50, 16 bytes long.
Data: < ÀÎÍ÷ > 18 C0 CE CD F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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