Task 38679497
| Name | test_16-GPUGRID_TEST_ATM_40STEP_20261023-15-40-RND9582_0 |
| Workunit | 31621269 |
| Created | 26 Oct 2026, 20:46:20 UTC |
| Sent | 26 Oct 2026, 20:46:22 UTC |
| Report deadline | 31 Oct 2026, 20:46:22 UTC |
| Received | 26 Oct 2026, 21:23:03 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 604231 |
| Run time | 27 min 55 sec |
| CPU time | 27 min 55 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 82,578.99 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 739.26 MB |
| Peak swap size | 13.15 GB |
| Peak disk usage | 3.02 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
15:51:20 (14624): wrapper (7.9.26016): starting
15:51:20 (14624): 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
15:51:21 (14624): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:51:21 (14624): 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 'M:\BOINC\slots\10\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 'M:\BOINC\slots\10\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
16:20:14 (14624): C:/Windows/system32/cmd.exe exited; CPU time 1675.125000
16:20:14 (14624): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 bytes in 8 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: 32564189 bytes.
Dumping objects ->
{3835626} normal block at 0x0000021C2EF86BF0, 48 bytes long.
Data: <PATH=M:\BOINC\sl> 50 41 54 48 3D 4D 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835615} normal block at 0x0000021C30C678D0, 32 bytes long.
Data: <HOME=M:\BOINC\sl> 48 4F 4D 45 3D 4D 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835604} normal block at 0x0000021C30C677B0, 32 bytes long.
Data: <TMP=M:\BOINC\slo> 54 4D 50 3D 4D 3A 5C 42 4F 49 4E 43 5C 73 6C 6F
{3835593} normal block at 0x0000021C30C67390, 32 bytes long.
Data: <TEMP=M:\BOINC\sl> 54 45 4D 50 3D 4D 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835582} normal block at 0x0000021C30C66F10, 32 bytes long.
Data: <TMPDIR=M:\BOINC\> 54 4D 50 44 49 52 3D 4D 3A 5C 42 4F 49 4E 43 5C
{3835551} normal block at 0x0000021C2EF86D40, 48 bytes long.
Data: <PATH=M:\BOINC\sl> 50 41 54 48 3D 4D 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835540} normal block at 0x0000021C2EF7C250, 200 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
..\api\boinc_api.cpp(309) : {3835537} normal block at 0x0000021C2EF7F390, 8 bytes long.
Data: < 5/ > 00 00 35 2F 1C 02 00 00
{3834737} normal block at 0x0000021C2EF7CCF0, 200 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833963} normal block at 0x0000021C2EF7F930, 8 bytes long.
Data: < aø. > 10 61 F8 2E 1C 02 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000021C2EF83200, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000021C2EF70E20, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{297} normal block at 0x0000021C2EF87970, 16 bytes long.
Data: < ø. > 18 06 F8 2E 1C 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000021C2EF872E0, 16 bytes long.
Data: <ð ø. > F0 05 F8 2E 1C 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000021C2EF81050, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{294} normal block at 0x0000021C2EF87D30, 16 bytes long.
Data: <È ø. > C8 05 F8 2E 1C 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000021C2EF87010, 16 bytes long.
Data: <  ø. > A0 05 F8 2E 1C 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000021C2EF876F0, 16 bytes long.
Data: <x ø. > 78 05 F8 2E 1C 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000021C2EF87920, 16 bytes long.
Data: <P ø. > 50 05 F8 2E 1C 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000021C2EF869C0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{289} normal block at 0x0000021C2EF878D0, 16 bytes long.
Data: <H¢÷. > 48 A2 F7 2E 1C 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000021C2EF80FF0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{287} normal block at 0x0000021C2EF87CE0, 16 bytes long.
Data: < ¢÷. > 20 A2 F7 2E 1C 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000021C2EF87AB0, 16 bytes long.
Data: <ø¡÷. > F8 A1 F7 2E 1C 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000021C2EF87290, 16 bytes long.
Data: <С÷. > D0 A1 F7 2E 1C 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000021C2EF87470, 16 bytes long.
Data: <¨¡÷. > A8 A1 F7 2E 1C 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000021C2EF87C90, 16 bytes long.
Data: < ¡÷. > 80 A1 F7 2E 1C 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000021C2EF87E70, 16 bytes long.
Data: <X¡÷. > 58 A1 F7 2E 1C 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000021C2EF81230, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{279} normal block at 0x0000021C2EF87A60, 16 bytes long.
Data: <0¡÷. > 30 A1 F7 2E 1C 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000021C2EF7A130, 320 bytes long.
Data: <`zø. 0 ø. > 60 7A F8 2E 1C 02 00 00 30 12 F8 2E 1C 02 00 00
{277} normal block at 0x0000021C2EF87F10, 16 bytes long.
Data: <0 ø. > 30 05 F8 2E 1C 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000021C2EF87150, 16 bytes long.
Data: < ø. > 08 05 F8 2E 1C 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000021C2EF813B0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{274} normal block at 0x0000021C2EF87E20, 16 bytes long.
Data: <à ø. > E0 04 F8 2E 1C 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000021C2EF812F0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{272} normal block at 0x0000021C2EF87C40, 16 bytes long.
Data: <( ø. > 28 04 F8 2E 1C 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000021C2EF87420, 16 bytes long.
Data: < ø. > 00 04 F8 2E 1C 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000021C2EF877E0, 16 bytes long.
Data: <Ø ø. > D8 03 F8 2E 1C 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000021C2EF87560, 16 bytes long.
Data: <° ø. > B0 03 F8 2E 1C 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000021C2EF87600, 16 bytes long.
Data: < ø. > 88 03 F8 2E 1C 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000021C2EF875B0, 16 bytes long.
Data: <` ø. > 60 03 F8 2E 1C 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000021C2EF87F60, 16 bytes long.
Data: < jø. > A0 6A F8 2E 1C 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000021C2EF86AA0, 40 bytes long.
Data: <` ø. @mø. > 60 7F F8 2E 1C 02 00 00 40 6D F8 2E 1C 02 00 00
{263} normal block at 0x0000021C2EF87830, 16 bytes long.
Data: <@ ø. > 40 03 F8 2E 1C 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000021C2EF873D0, 16 bytes long.
Data: < ø. > 18 03 F8 2E 1C 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000021C2EF80B10, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{260} normal block at 0x0000021C2EF879C0, 16 bytes long.
Data: <ð ø. > F0 02 F8 2E 1C 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000021C2EF802F0, 992 bytes long.
Data: <Àyø. ø. > C0 79 F8 2E 1C 02 00 00 10 0B F8 2E 1C 02 00 00
{95} normal block at 0x0000021C2EF80C90, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{94} normal block at 0x0000021C2EF7FD40, 16 bytes long.
Data: <` ÷. > 60 02 F7 2E 1C 02 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x0000021C2EF70260, 40 bytes long.
Data: <@ý÷. ø. > 40 FD F7 2E 1C 02 00 00 90 0C F8 2E 1C 02 00 00
{72} normal block at 0x0000021C2EF7FAC0, 16 bytes long.
Data: < ê×Z÷ > 80 EA D7 5A F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000021C2EF7F480, 16 bytes long.
Data: <@é×Z÷ > 40 E9 D7 5A F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000021C2EF7FB60, 16 bytes long.
Data: <øWÔZ÷ > F8 57 D4 5A F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000021C2EF7F340, 16 bytes long.
Data: <ØWÔZ÷ > D8 57 D4 5A F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000021C2EF7FA70, 16 bytes long.
Data: <P ÔZ÷ > 50 04 D4 5A F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000021C2EF7F250, 16 bytes long.
Data: <0 ÔZ÷ > 30 04 D4 5A F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000021C2EF7F430, 16 bytes long.
Data: <à ÔZ÷ > E0 02 D4 5A F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000021C2EF7FA20, 16 bytes long.
Data: < ÔZ÷ > 10 04 D4 5A F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000021C2EF7F020, 16 bytes long.
Data: <p ÔZ÷ > 70 04 D4 5A F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000021C2EF7EFD0, 16 bytes long.
Data: < ÀÒZ÷ > 18 C0 D2 5A F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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