Task 38695643
| Name | test_783-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND4610_0 |
| Workunit | 31636330 |
| Created | 31 Oct 2026, 13:22:20 UTC |
| Sent | 31 Oct 2026, 13:22:25 UTC |
| Report deadline | 5 Nov 2026, 13:22:25 UTC |
| Received | 31 Oct 2026, 14:12:40 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 632144 |
| Run time | 49 min 13 sec |
| CPU time | 47 min 48 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 29,149.23 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 732.16 MB |
| Peak swap size | 6.92 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
06:23:22 (17148): wrapper (7.9.26016): starting
06:23:22 (17148): 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
06:23:23 (17148): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:23:23 (17148): 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\2\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\2\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
07:11:56 (17148): C:/Windows/system32/cmd.exe exited; CPU time 2868.171875
07:11:56 (17148): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 101529485 bytes.
Dumping objects ->
{3835638} normal block at 0x000002090551DEB0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835627} normal block at 0x000002090551DA50, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835616} normal block at 0x000002090551DCF0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835605} normal block at 0x000002090551D6D0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835594} normal block at 0x000002090551D7B0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835563} normal block at 0x00000209070F7770, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835552} normal block at 0x00000209070822F0, 102 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) : {3835549} normal block at 0x00000209054EC5E0, 8 bytes long.
Data: < † > 00 00 86 05 09 02 00 00
{3834742} normal block at 0x0000020907082660, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833987} normal block at 0x00000209054EC7C0, 8 bytes long.
Data: <P > 50 88 0F 07 09 02 00 00
..\zip\boinc_zip.cpp(122) : {325} normal block at 0x00000209054F44F0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{310} normal block at 0x00000209054E8DA0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{309} normal block at 0x00000209054F8DC0, 16 bytes long.
Data: < O > 88 98 4F 05 09 02 00 00 00 00 00 00 00 00 00 00
{308} normal block at 0x00000209054F93B0, 16 bytes long.
Data: <` O > 60 98 4F 05 09 02 00 00 00 00 00 00 00 00 00 00
{307} normal block at 0x00000209054F0B50, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{306} normal block at 0x00000209054F86E0, 16 bytes long.
Data: <8 O > 38 98 4F 05 09 02 00 00 00 00 00 00 00 00 00 00
{305} normal block at 0x00000209054F9090, 16 bytes long.
Data: < O > 10 98 4F 05 09 02 00 00 00 00 00 00 00 00 00 00
{304} normal block at 0x00000209054F8F50, 16 bytes long.
Data: <è—O > E8 97 4F 05 09 02 00 00 00 00 00 00 00 00 00 00
{303} normal block at 0x00000209054F8960, 16 bytes long.
Data: <À—O > C0 97 4F 05 09 02 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x00000209054F6A60, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{301} normal block at 0x00000209054F85A0, 16 bytes long.
Data: < ƒO > 08 83 4F 05 09 02 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x00000209054F1210, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{299} normal block at 0x00000209054F8F00, 16 bytes long.
Data: <à‚O > E0 82 4F 05 09 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x00000209054F8690, 16 bytes long.
Data: <¸‚O > B8 82 4F 05 09 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000209054F8780, 16 bytes long.
Data: < ‚O > 90 82 4F 05 09 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000209054F8B40, 16 bytes long.
Data: <h‚O > 68 82 4F 05 09 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000209054F8E10, 16 bytes long.
Data: <@‚O > 40 82 4F 05 09 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000209054F9360, 16 bytes long.
Data: < ‚O > 18 82 4F 05 09 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000209054F1030, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{291} normal block at 0x00000209054F9310, 16 bytes long.
Data: <ð O > F0 81 4F 05 09 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000209054F81F0, 320 bytes long.
Data: < “O 0 O > 10 93 4F 05 09 02 00 00 30 10 4F 05 09 02 00 00
{289} normal block at 0x00000209054F8E60, 16 bytes long.
Data: < —O > A0 97 4F 05 09 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000209054F9270, 16 bytes long.
Data: <x—O > 78 97 4F 05 09 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000209054F11B0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{286} normal block at 0x00000209054F8640, 16 bytes long.
Data: <P—O > 50 97 4F 05 09 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000209054F0FD0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{284} normal block at 0x00000209054F8A50, 16 bytes long.
Data: < –O > 98 96 4F 05 09 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000209054F8AF0, 16 bytes long.
Data: <p–O > 70 96 4F 05 09 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000209054F8C80, 16 bytes long.
Data: <H–O > 48 96 4F 05 09 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000209054F8FF0, 16 bytes long.
Data: < –O > 20 96 4F 05 09 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000209054F8910, 16 bytes long.
Data: <ø•O > F8 95 4F 05 09 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000209054F9220, 16 bytes long.
Data: <ЕO > D0 95 4F 05 09 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000209054F8A00, 16 bytes long.
Data: < lO > 90 6C 4F 05 09 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000209054F6C90, 40 bytes long.
Data: < ŠO pw > 00 8A 4F 05 09 02 00 00 70 77 0F 07 09 02 00 00
{275} normal block at 0x00000209054F9180, 16 bytes long.
Data: <°•O > B0 95 4F 05 09 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000209054F89B0, 16 bytes long.
Data: < •O > 88 95 4F 05 09 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000209054F0F70, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{272} normal block at 0x00000209054F9040, 16 bytes long.
Data: <`•O > 60 95 4F 05 09 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000209054F9560, 992 bytes long.
Data: <@ O p O > 40 90 4F 05 09 02 00 00 70 0F 4F 05 09 02 00 00
{107} normal block at 0x00000209054F0D90, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{106} normal block at 0x00000209054ED260, 16 bytes long.
Data: <ðpO > F0 70 4F 05 09 02 00 00 00 00 00 00 00 00 00 00
{105} normal block at 0x00000209054F70F0, 40 bytes long.
Data: <`ÒN O > 60 D2 4E 05 09 02 00 00 90 0D 4F 05 09 02 00 00
{84} normal block at 0x00000209054EC590, 16 bytes long.
Data: < ê.õö > 80 EA 2E F5 F6 7F 00 00 00 00 00 00 00 00 00 00
{83} normal block at 0x00000209054ECF90, 16 bytes long.
Data: <@é.õö > 40 E9 2E F5 F6 7F 00 00 00 00 00 00 00 00 00 00
{82} normal block at 0x00000209054ECEF0, 16 bytes long.
Data: <øW+õö > F8 57 2B F5 F6 7F 00 00 00 00 00 00 00 00 00 00
{81} normal block at 0x00000209054ED440, 16 bytes long.
Data: <ØW+õö > D8 57 2B F5 F6 7F 00 00 00 00 00 00 00 00 00 00
{80} normal block at 0x00000209054EC680, 16 bytes long.
Data: <P +õö > 50 04 2B F5 F6 7F 00 00 00 00 00 00 00 00 00 00
{79} normal block at 0x00000209054EC720, 16 bytes long.
Data: <0 +õö > 30 04 2B F5 F6 7F 00 00 00 00 00 00 00 00 00 00
{78} normal block at 0x00000209054ECB80, 16 bytes long.
Data: <à +õö > E0 02 2B F5 F6 7F 00 00 00 00 00 00 00 00 00 00
{77} normal block at 0x00000209054ECE00, 16 bytes long.
Data: < +õö > 10 04 2B F5 F6 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x00000209054ED2B0, 16 bytes long.
Data: <p +õö > 70 04 2B F5 F6 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x00000209054ECDB0, 16 bytes long.
Data: < À)õö > 18 C0 29 F5 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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