Task 38675232
| Name | test_775-GPUGRID_TEST_ATM_40STEP_20261023-18-40-RND7476_0 |
| Workunit | 31617215 |
| Created | 26 Oct 2026, 7:40:57 UTC |
| Sent | 26 Oct 2026, 7:41:01 UTC |
| Report deadline | 31 Oct 2026, 7:41:01 UTC |
| Received | 27 Oct 2026, 2:01:03 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 644440 |
| Run time | 59 min 22 sec |
| CPU time | 59 min 22 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 8,090.66 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 741.64 MB |
| Peak swap size | 12.90 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
06:36:33 (93660): wrapper (7.9.26016): starting
06:36:33 (93660): 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
06:36:34 (93660): Library/usr/bin/tar.exe exited; CPU time 0.015625
06:36:34 (93660): 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\32\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\32\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
07:36:22 (93660): C:/Windows/system32/cmd.exe exited; CPU time 3562.718750
07:36:22 (93660): 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: 103244805 bytes.
Dumping objects ->
{3835512} normal block at 0x000002B554A14450, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835501} normal block at 0x000002B552D874E0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835490} normal block at 0x000002B552D87470, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835479} normal block at 0x000002B552D87B70, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835468} normal block at 0x000002B552D87B00, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835437} normal block at 0x000002B554A8A950, 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) : {3835424} normal block at 0x000002B552D81680, 8 bytes long.
Data: < &Sµ > 00 00 26 53 B5 02 00 00
{3833965} normal block at 0x000002B552D81540, 8 bytes long.
Data: < ^®Tµ > 20 5E AE 54 B5 02 00 00
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000002B552D78210, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000002B552D79A50, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{298} normal block at 0x000002B552D88BD0, 16 bytes long.
Data: <h ØRµ > 68 8F D8 52 B5 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000002B552D881D0, 16 bytes long.
Data: <@ ØRµ > 40 8F D8 52 B5 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000002B552D83220, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{295} normal block at 0x000002B552D88950, 16 bytes long.
Data: < ØRµ > 18 8F D8 52 B5 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002B552D88180, 16 bytes long.
Data: <ðŽØRµ > F0 8E D8 52 B5 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002B552D88B80, 16 bytes long.
Data: <ÈŽØRµ > C8 8E D8 52 B5 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002B552D88360, 16 bytes long.
Data: < ŽØRµ > A0 8E D8 52 B5 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002B552D87780, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{290} normal block at 0x000002B552D87CD0, 16 bytes long.
Data: <8 ×Rµ > 38 05 D7 52 B5 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002B552D83040, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{288} normal block at 0x000002B552D88130, 16 bytes long.
Data: < ×Rµ > 10 05 D7 52 B5 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002B552D87F00, 16 bytes long.
Data: <è ×Rµ > E8 04 D7 52 B5 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002B552D885E0, 16 bytes long.
Data: <À ×Rµ > C0 04 D7 52 B5 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002B552D88310, 16 bytes long.
Data: < ×Rµ > 98 04 D7 52 B5 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002B552D88720, 16 bytes long.
Data: <p ×Rµ > 70 04 D7 52 B5 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002B552D884A0, 16 bytes long.
Data: <H ×Rµ > 48 04 D7 52 B5 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002B552D834C0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{280} normal block at 0x000002B552D88040, 16 bytes long.
Data: < ×Rµ > 20 04 D7 52 B5 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002B552D70420, 320 bytes long.
Data: <@ ØRµ À4ØRµ > 40 80 D8 52 B5 02 00 00 C0 34 D8 52 B5 02 00 00
{278} normal block at 0x000002B552D880E0, 16 bytes long.
Data: < ŽØRµ > 80 8E D8 52 B5 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002B552D88680, 16 bytes long.
Data: <XŽØRµ > 58 8E D8 52 B5 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002B552D83460, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{275} normal block at 0x000002B552D889F0, 16 bytes long.
Data: <0ŽØRµ > 30 8E D8 52 B5 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002B552D82B00, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{273} normal block at 0x000002B552D87D70, 16 bytes long.
Data: <x ØRµ > 78 8D D8 52 B5 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002B552D88A40, 16 bytes long.
Data: <P ØRµ > 50 8D D8 52 B5 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002B552D88090, 16 bytes long.
Data: <( ØRµ > 28 8D D8 52 B5 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002B552D88400, 16 bytes long.
Data: < ØRµ > 00 8D D8 52 B5 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002B552D88450, 16 bytes long.
Data: <ØŒØRµ > D8 8C D8 52 B5 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002B552D88B30, 16 bytes long.
Data: <°ŒØRµ > B0 8C D8 52 B5 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002B552D88540, 16 bytes long.
Data: <@yØRµ > 40 79 D8 52 B5 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002B552D87940, 40 bytes long.
Data: <@…ØRµ P©¨Tµ > 40 85 D8 52 B5 02 00 00 50 A9 A8 54 B5 02 00 00
{264} normal block at 0x000002B552D884F0, 16 bytes long.
Data: < ŒØRµ > 90 8C D8 52 B5 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002B552D888B0, 16 bytes long.
Data: <hŒØRµ > 68 8C D8 52 B5 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002B552D82C80, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{261} normal block at 0x000002B552D886D0, 16 bytes long.
Data: <@ŒØRµ > 40 8C D8 52 B5 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000002B552D88C40, 992 bytes long.
Data: <ІØRµ ,ØRµ > D0 86 D8 52 B5 02 00 00 80 2C D8 52 B5 02 00 00
{96} normal block at 0x000002B552D82C20, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{95} normal block at 0x000002B552D80FF0, 16 bytes long.
Data: < âÖRµ > 00 E2 D6 52 B5 02 00 00 00 00 00 00 00 00 00 00
{94} normal block at 0x000002B552D6E200, 40 bytes long.
Data: <ð ØRµ ,ØRµ > F0 0F D8 52 B5 02 00 00 20 2C D8 52 B5 02 00 00
{73} normal block at 0x000002B552D80870, 16 bytes long.
Data: < êS†ö > 80 EA 53 86 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000002B552D80F50, 16 bytes long.
Data: <@éS†ö > 40 E9 53 86 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000002B552D812C0, 16 bytes long.
Data: <øWP†ö > F8 57 50 86 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000002B552D80C80, 16 bytes long.
Data: <ØWP†ö > D8 57 50 86 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002B552D80AF0, 16 bytes long.
Data: <P P†ö > 50 04 50 86 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002B552D80E60, 16 bytes long.
Data: <0 P†ö > 30 04 50 86 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002B552D81130, 16 bytes long.
Data: <à P†ö > E0 02 50 86 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002B552D80DC0, 16 bytes long.
Data: < P†ö > 10 04 50 86 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002B552D81630, 16 bytes long.
Data: <p P†ö > 70 04 50 86 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002B552D80EB0, 16 bytes long.
Data: < ÀN†ö > 18 C0 4E 86 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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