Task 38699935
| Name | test_794-GPUGRID_TEST_ATM_40STEP_20261023-38-40-RND6563_0 |
| Workunit | 31640282 |
| Created | 6 Nov 2026, 6:53:52 UTC |
| Sent | 6 Nov 2026, 6:53:59 UTC |
| Report deadline | 11 Nov 2026, 6:53:59 UTC |
| Received | 6 Nov 2026, 23:22:18 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 643641 |
| Run time | 37 min 34 sec |
| CPU time | 35 min 36 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 16,200.74 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 724.81 MB |
| Peak swap size | 9.91 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:45:51 (153684): wrapper (7.9.26016): starting
17:45:51 (153684): 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
17:45:52 (153684): Library/usr/bin/tar.exe exited; CPU time 0.046875
17:45:52 (153684): 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\30\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\30\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
18:21:54 (153684): C:/Windows/system32/cmd.exe exited; CPU time 2136.468750
18:21:54 (153684): 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: 51048641 bytes.
Dumping objects ->
{3835230} normal block at 0x000002B8A4F14590, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835219} normal block at 0x000002B8A4F14C20, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835208} normal block at 0x000002B8A4F14520, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835197} normal block at 0x000002B8A30E4C60, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835186} normal block at 0x000002B8A30E4B10, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835155} normal block at 0x000002B8A4EBB350, 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) : {3835142} normal block at 0x000002B8A30DEF10, 8 bytes long.
Data: < n£¸ > 00 00 6E A3 B8 02 00 00
{3833957} normal block at 0x000002B8A30DF820, 8 bytes long.
Data: <Àßܤ¸ > C0 DF DC A4 B8 02 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000002B8A30E17F0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000002B8A30D6C30, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{294} normal block at 0x000002B8A30E6100, 16 bytes long.
Data: <8X £¸ > 38 58 0E A3 B8 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002B8A30E5A70, 16 bytes long.
Data: < X £¸ > 10 58 0E A3 B8 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002B8A30DFD20, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{291} normal block at 0x000002B8A30E5F70, 16 bytes long.
Data: <èW £¸ > E8 57 0E A3 B8 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002B8A30E6650, 16 bytes long.
Data: <ÀW £¸ > C0 57 0E A3 B8 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002B8A30E6380, 16 bytes long.
Data: < W £¸ > 98 57 0E A3 B8 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002B8A30E6290, 16 bytes long.
Data: <pW £¸ > 70 57 0E A3 B8 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002B8A30E4DB0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{286} normal block at 0x000002B8A30E6740, 16 bytes long.
Data: <èç £¸ > E8 E7 0D A3 B8 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002B8A30E0620, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{284} normal block at 0x000002B8A30E5F20, 16 bytes long.
Data: <Àç £¸ > C0 E7 0D A3 B8 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002B8A30E5B60, 16 bytes long.
Data: < ç £¸ > 98 E7 0D A3 B8 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002B8A30E5ED0, 16 bytes long.
Data: <pç £¸ > 70 E7 0D A3 B8 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002B8A30E60B0, 16 bytes long.
Data: <Hç £¸ > 48 E7 0D A3 B8 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002B8A30E61F0, 16 bytes long.
Data: < ç £¸ > 20 E7 0D A3 B8 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002B8A30E59D0, 16 bytes long.
Data: <øæ £¸ > F8 E6 0D A3 B8 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002B8A30DFFC0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{276} normal block at 0x000002B8A30E6010, 16 bytes long.
Data: <Ðæ £¸ > D0 E6 0D A3 B8 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002B8A30DE6D0, 320 bytes long.
Data: < ` £¸ Àÿ £¸ > 10 60 0E A3 B8 02 00 00 C0 FF 0D A3 B8 02 00 00
{274} normal block at 0x000002B8A30E5CF0, 16 bytes long.
Data: <PW £¸ > 50 57 0E A3 B8 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002B8A30E6330, 16 bytes long.
Data: <(W £¸ > 28 57 0E A3 B8 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002B8A30E07A0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{271} normal block at 0x000002B8A30E6470, 16 bytes long.
Data: < W £¸ > 00 57 0E A3 B8 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002B8A30DFE40, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{269} normal block at 0x000002B8A30E5E80, 16 bytes long.
Data: <HV £¸ > 48 56 0E A3 B8 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002B8A30E62E0, 16 bytes long.
Data: < V £¸ > 20 56 0E A3 B8 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002B8A30E5980, 16 bytes long.
Data: <øU £¸ > F8 55 0E A3 B8 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002B8A30E68D0, 16 bytes long.
Data: <ÐU £¸ > D0 55 0E A3 B8 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002B8A30E66F0, 16 bytes long.
Data: <¨U £¸ > A8 55 0E A3 B8 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002B8A30DF230, 16 bytes long.
Data: < U £¸ > 80 55 0E A3 B8 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002B8A30DEF60, 16 bytes long.
Data: <àO £¸ > E0 4F 0E A3 B8 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002B8A30E4FE0, 40 bytes long.
Data: <`ï £¸ P³ë¤¸ > 60 EF 0D A3 B8 02 00 00 50 B3 EB A4 B8 02 00 00
{260} normal block at 0x000002B8A30DF910, 16 bytes long.
Data: <`U £¸ > 60 55 0E A3 B8 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000002B8A30DF730, 16 bytes long.
Data: <8U £¸ > 38 55 0E A3 B8 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000002B8A30DFC00, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{257} normal block at 0x000002B8A30DF6E0, 16 bytes long.
Data: < U £¸ > 10 55 0E A3 B8 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000002B8A30E5510, 992 bytes long.
Data: <àö £¸ ü £¸ > E0 F6 0D A3 B8 02 00 00 00 FC 0D A3 B8 02 00 00
{92} normal block at 0x000002B8A30E08C0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{91} normal block at 0x000002B8A30DED30, 16 bytes long.
Data: < N £¸ > 20 4E 0E A3 B8 02 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x000002B8A30E4E20, 40 bytes long.
Data: <0í £¸ À £¸ > 30 ED 0D A3 B8 02 00 00 C0 08 0E A3 B8 02 00 00
{69} normal block at 0x000002B8A30DEBF0, 16 bytes long.
Data: < ê^‚÷ > 80 EA 5E 82 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002B8A30DF280, 16 bytes long.
Data: <@é^‚÷ > 40 E9 5E 82 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002B8A30DF7D0, 16 bytes long.
Data: <øW[‚÷ > F8 57 5B 82 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002B8A30DF4B0, 16 bytes long.
Data: <ØW[‚÷ > D8 57 5B 82 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002B8A30DF500, 16 bytes long.
Data: <P [‚÷ > 50 04 5B 82 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002B8A30DEA10, 16 bytes long.
Data: <0 [‚÷ > 30 04 5B 82 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002B8A30DED80, 16 bytes long.
Data: <à [‚÷ > E0 02 5B 82 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002B8A30DF2D0, 16 bytes long.
Data: < [‚÷ > 10 04 5B 82 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000002B8A30DF960, 16 bytes long.
Data: <p [‚÷ > 70 04 5B 82 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000002B8A30DEBA0, 16 bytes long.
Data: < ÀY‚÷ > 18 C0 59 82 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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