Task 38668246
| Name | test_993-GPUGRID_TEST_ATM_40STEP_20261023-14-40-RND6641_0 |
| Workunit | 31610794 |
| Created | 25 Oct 2026, 11:11:03 UTC |
| Sent | 25 Oct 2026, 11:11:08 UTC |
| Report deadline | 30 Oct 2026, 11:11:08 UTC |
| Received | 25 Oct 2026, 13:27:56 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 607579 |
| Run time | 28 min 40 sec |
| CPU time | 27 min 36 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 21,377.06 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 723.55 MB |
| Peak swap size | 9.93 GB |
| Peak disk usage | 4.21 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
13:59:43 (3740): wrapper (7.9.26016): starting
13:59:43 (3740): 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
13:59:44 (3740): Library/usr/bin/tar.exe exited; CPU time 0.015625
13:59:44 (3740): 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 'C:\ProgramData\BOINC\slots\0\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 'C:\ProgramData\BOINC\slots\0\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
14:27:34 (3740): C:/Windows/system32/cmd.exe exited; CPU time 1656.671875
14:27:34 (3740): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 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: 39296497 bytes.
Dumping objects ->
{3835569} normal block at 0x000001F6B7DC4000, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835558} normal block at 0x000001F6B7DC3EB0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835547} normal block at 0x000001F6B5F24940, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835536} normal block at 0x000001F6B5F25040, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835525} normal block at 0x000001F6B5F24FD0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835494} normal block at 0x000001F6B7D67EB0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
..\api\boinc_api.cpp(309) : {3835481} normal block at 0x000001F6B5F1D490, 8 bytes long.
Data: < A¶ö > 00 00 41 B6 F6 01 00 00
{3833967} normal block at 0x000001F6B5F1DD00, 8 bytes long.
Data: <°åÿµö > B0 E5 FF B5 F6 01 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000001F6B5F21A40, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000001F6B5F168A0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{299} normal block at 0x000001F6B5F25EB0, 16 bytes long.
Data: <hjòµö > 68 6A F2 B5 F6 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001F6B5F264A0, 16 bytes long.
Data: <@jòµö > 40 6A F2 B5 F6 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001F6B5F1FAB0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{296} normal block at 0x000001F6B5F261D0, 16 bytes long.
Data: < jòµö > 18 6A F2 B5 F6 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001F6B5F25D70, 16 bytes long.
Data: <ðiòµö > F0 69 F2 B5 F6 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001F6B5F26400, 16 bytes long.
Data: <Èiòµö > C8 69 F2 B5 F6 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001F6B5F26540, 16 bytes long.
Data: < iòµö > A0 69 F2 B5 F6 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001F6B5F24B00, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{291} normal block at 0x000001F6B5F25960, 16 bytes long.
Data: <8“ñµö > 38 93 F1 B5 F6 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001F6B5F1F030, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{289} normal block at 0x000001F6B5F25E60, 16 bytes long.
Data: < “ñµö > 10 93 F1 B5 F6 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001F6B5F263B0, 16 bytes long.
Data: <è’ñµö > E8 92 F1 B5 F6 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001F6B5F26180, 16 bytes long.
Data: <À’ñµö > C0 92 F1 B5 F6 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001F6B5F26360, 16 bytes long.
Data: < ’ñµö > 98 92 F1 B5 F6 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001F6B5F25B40, 16 bytes long.
Data: <p’ñµö > 70 92 F1 B5 F6 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001F6B5F26090, 16 bytes long.
Data: <H’ñµö > 48 92 F1 B5 F6 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001F6B5F1F210, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{281} normal block at 0x000001F6B5F25BE0, 16 bytes long.
Data: < ’ñµö > 20 92 F1 B5 F6 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001F6B5F19220, 320 bytes long.
Data: <à[òµö òñµö > E0 5B F2 B5 F6 01 00 00 10 F2 F1 B5 F6 01 00 00
{279} normal block at 0x000001F6B5F25AF0, 16 bytes long.
Data: < iòµö > 80 69 F2 B5 F6 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001F6B5F25780, 16 bytes long.
Data: <Xiòµö > 58 69 F2 B5 F6 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001F6B5F1FC90, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{276} normal block at 0x000001F6B5F265E0, 16 bytes long.
Data: <0iòµö > 30 69 F2 B5 F6 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001F6B5F1F810, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{274} normal block at 0x000001F6B5F25870, 16 bytes long.
Data: <xhòµö > 78 68 F2 B5 F6 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001F6B5F26450, 16 bytes long.
Data: <Phòµö > 50 68 F2 B5 F6 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001F6B5F25A50, 16 bytes long.
Data: <(hòµö > 28 68 F2 B5 F6 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001F6B5F25910, 16 bytes long.
Data: < hòµö > 00 68 F2 B5 F6 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001F6B5F25F00, 16 bytes long.
Data: <Øgòµö > D8 67 F2 B5 F6 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001F6B5F26220, 16 bytes long.
Data: <°gòµö > B0 67 F2 B5 F6 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001F6B5F25A00, 16 bytes long.
Data: < Jòµö > 90 4A F2 B5 F6 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001F6B5F24A90, 40 bytes long.
Data: < Zòµö °~Ö·ö > 00 5A F2 B5 F6 01 00 00 B0 7E D6 B7 F6 01 00 00
{265} normal block at 0x000001F6B5F258C0, 16 bytes long.
Data: < gòµö > 90 67 F2 B5 F6 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001F6B5F25DC0, 16 bytes long.
Data: <hgòµö > 68 67 F2 B5 F6 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001F6B5F1F870, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{262} normal block at 0x000001F6B5F26270, 16 bytes long.
Data: <@gòµö > 40 67 F2 B5 F6 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001F6B5F26740, 992 bytes long.
Data: <pbòµö pøñµö > 70 62 F2 B5 F6 01 00 00 70 F8 F1 B5 F6 01 00 00
{97} normal block at 0x000001F6B5F1F270, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{96} normal block at 0x000001F6B5F1E250, 16 bytes long.
Data: <`Öðµö > 60 D6 F0 B5 F6 01 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x000001F6B5F0D660, 40 bytes long.
Data: <Pâñµö pòñµö > 50 E2 F1 B5 F6 01 00 00 70 F2 F1 B5 F6 01 00 00
{74} normal block at 0x000001F6B5F1DA80, 16 bytes long.
Data: < êrê÷ > 80 EA 72 EA F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000001F6B5F1D710, 16 bytes long.
Data: <@érê÷ > 40 E9 72 EA F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001F6B5F1E3E0, 16 bytes long.
Data: <øWoê÷ > F8 57 6F EA F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001F6B5F1D580, 16 bytes long.
Data: <ØWoê÷ > D8 57 6F EA F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001F6B5F1D6C0, 16 bytes long.
Data: <P oê÷ > 50 04 6F EA F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001F6B5F1D800, 16 bytes long.
Data: <0 oê÷ > 30 04 6F EA F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001F6B5F1D940, 16 bytes long.
Data: <à oê÷ > E0 02 6F EA F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001F6B5F1DCB0, 16 bytes long.
Data: < oê÷ > 10 04 6F EA F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001F6B5F1D7B0, 16 bytes long.
Data: <p oê÷ > 70 04 6F EA F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001F6B5F1DA30, 16 bytes long.
Data: < Àmê÷ > 18 C0 6D EA F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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