Task 38678030
| Name | test_92-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND3868_0 |
| Workunit | 31619872 |
| Created | 26 Oct 2026, 16:09:26 UTC |
| Sent | 26 Oct 2026, 16:09:34 UTC |
| Report deadline | 31 Oct 2026, 16:09:34 UTC |
| Received | 26 Oct 2026, 17:49:14 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654846 |
| Run time | 49 min 26 sec |
| CPU time | 42 min 33 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 13,171.24 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 653.28 MB |
| Peak swap size | 3.08 GB |
| Peak disk usage | 3.24 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:58:59 (2848): wrapper (7.9.26016): starting
18:58:59 (2848): 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
18:59:01 (2848): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:59:01 (2848): 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 'D:\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 'D:\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
19:47:01 (2848): C:/Windows/system32/cmd.exe exited; CPU time 2553.265625
19:47:01 (2848): 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: 32919415 bytes.
Dumping objects ->
{3835253} normal block at 0x000001B4FA9A9710, 48 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835242} normal block at 0x000001B4FA9A99B0, 48 bytes long.
Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835231} normal block at 0x000001B4FA9A9550, 48 bytes long.
Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835220} normal block at 0x000001B4F8E7B6F0, 48 bytes long.
Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835209} normal block at 0x000001B4F8E7B5A0, 48 bytes long.
Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61
{3835178} normal block at 0x000001B4FA94C750, 64 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835167} normal block at 0x000001B4FA8C1210, 160 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) : {3835164} normal block at 0x000001B4F8E76940, 8 bytes long.
Data: < uú´ > 00 00 75 FA B4 01 00 00
{3834552} normal block at 0x000001B4FA8C0F70, 160 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833943} normal block at 0x000001B4F8E77390, 8 bytes long.
Data: <Ð…šú´ > D0 85 9A FA B4 01 00 00
..\zip\boinc_zip.cpp(122) : {303} normal block at 0x000001B4F8E81320, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001B4F8E6B6F0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{287} normal block at 0x000001B4F8E82E50, 16 bytes long.
Data: <¨Jèø´ > A8 4A E8 F8 B4 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001B4F8E82E00, 16 bytes long.
Data: < Jèø´ > 80 4A E8 F8 B4 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001B4F8E7C9D0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{284} normal block at 0x000001B4F8E82D60, 16 bytes long.
Data: <XJèø´ > 58 4A E8 F8 B4 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001B4F8E82D10, 16 bytes long.
Data: <0Jèø´ > 30 4A E8 F8 B4 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001B4F8E82B80, 16 bytes long.
Data: < Jèø´ > 08 4A E8 F8 B4 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001B4F8E82BD0, 16 bytes long.
Data: <àIèø´ > E0 49 E8 F8 B4 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001B4F8E7B760, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{279} normal block at 0x000001B4F8E82B30, 16 bytes long.
Data: <è³æø´ > E8 B3 E6 F8 B4 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001B4F8E7D2D0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{277} normal block at 0x000001B4F8E82950, 16 bytes long.
Data: <À³æø´ > C0 B3 E6 F8 B4 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001B4F8E82860, 16 bytes long.
Data: < ³æø´ > 98 B3 E6 F8 B4 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001B4F8E82770, 16 bytes long.
Data: <p³æø´ > 70 B3 E6 F8 B4 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001B4F8E83080, 16 bytes long.
Data: <H³æø´ > 48 B3 E6 F8 B4 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001B4F8E82A40, 16 bytes long.
Data: < ³æø´ > 20 B3 E6 F8 B4 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001B4F8E82C70, 16 bytes long.
Data: <ø²æø´ > F8 B2 E6 F8 B4 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001B4F8E7D450, 32 bytes long.
Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55
{269} normal block at 0x000001B4F8E82680, 16 bytes long.
Data: <вæø´ > D0 B2 E6 F8 B4 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001B4F8E6B2D0, 320 bytes long.
Data: < &èø´ PÔçø´ > 80 26 E8 F8 B4 01 00 00 50 D4 E7 F8 B4 01 00 00
{267} normal block at 0x000001B4F8E825E0, 16 bytes long.
Data: <ÀIèø´ > C0 49 E8 F8 B4 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001B4F8E82590, 16 bytes long.
Data: < Ièø´ > 98 49 E8 F8 B4 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001B4F8E7CC10, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{264} normal block at 0x000001B4F8E83300, 16 bytes long.
Data: <pIèø´ > 70 49 E8 F8 B4 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001B4F8E7D510, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{262} normal block at 0x000001B4F8E82F90, 16 bytes long.
Data: <¸Hèø´ > B8 48 E8 F8 B4 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001B4F8E829F0, 16 bytes long.
Data: < Hèø´ > 90 48 E8 F8 B4 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001B4F8E824A0, 16 bytes long.
Data: <hHèø´ > 68 48 E8 F8 B4 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001B4F8E82810, 16 bytes long.
Data: <@Hèø´ > 40 48 E8 F8 B4 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001B4F8E82A90, 16 bytes long.
Data: < Hèø´ > 18 48 E8 F8 B4 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001B4F8E832B0, 16 bytes long.
Data: <ðGèø´ > F0 47 E8 F8 B4 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001B4F8E82540, 16 bytes long.
Data: <P´çø´ > 50 B4 E7 F8 B4 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x000001B4F8E7B450, 40 bytes long.
Data: <@%èø´ PÇ”ú´ > 40 25 E8 F8 B4 01 00 00 50 C7 94 FA B4 01 00 00
{253} normal block at 0x000001B4F8E82C20, 16 bytes long.
Data: <ÐGèø´ > D0 47 E8 F8 B4 01 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x000001B4F8E82AE0, 16 bytes long.
Data: <¨Gèø´ > A8 47 E8 F8 B4 01 00 00 00 00 00 00 00 00 00 00
{251} normal block at 0x000001B4F8E7CF10, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{250} normal block at 0x000001B4F8E824F0, 16 bytes long.
Data: < Gèø´ > 80 47 E8 F8 B4 01 00 00 00 00 00 00 00 00 00 00
{249} normal block at 0x000001B4F8E84780, 992 bytes long.
Data: <ð$èø´ Ïçø´ > F0 24 E8 F8 B4 01 00 00 10 CF E7 F8 B4 01 00 00
{85} normal block at 0x000001B4F8E7CCD0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{84} normal block at 0x000001B4F8E768F0, 16 bytes long.
Data: < ¶çø´ > 80 B6 E7 F8 B4 01 00 00 00 00 00 00 00 00 00 00
{83} normal block at 0x000001B4F8E7B680, 40 bytes long.
Data: <ðhçø´ ÐÌçø´ > F0 68 E7 F8 B4 01 00 00 D0 CC E7 F8 B4 01 00 00
{62} normal block at 0x000001B4F8E76E90, 16 bytes long.
Data: < ê í÷ > 80 EA 01 ED F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001B4F8E77200, 16 bytes long.
Data: <@é í÷ > 40 E9 01 ED F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001B4F8E76C10, 16 bytes long.
Data: <øWþì÷ > F8 57 FE EC F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001B4F8E771B0, 16 bytes long.
Data: <ØWþì÷ > D8 57 FE EC F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001B4F8E76530, 16 bytes long.
Data: <P þì÷ > 50 04 FE EC F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000001B4F8E76490, 16 bytes long.
Data: <0 þì÷ > 30 04 FE EC F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000001B4F8E77070, 16 bytes long.
Data: <à þì÷ > E0 02 FE EC F7 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x000001B4F8E76CB0, 16 bytes long.
Data: < þì÷ > 10 04 FE EC F7 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x000001B4F8E766C0, 16 bytes long.
Data: <p þì÷ > 70 04 FE EC F7 7F 00 00 00 00 00 00 00 00 00 00
{53} normal block at 0x000001B4F8E77020, 16 bytes long.
Data: < Àüì÷ > 18 C0 FC EC F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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