Task 38682574
| Name | test_993-GPUGRID_TEST_ATM_40STEP_20261023-38-40-RND6641_0 |
| Workunit | 31624178 |
| Created | 27 Oct 2026, 8:16:11 UTC |
| Sent | 27 Oct 2026, 8:16:16 UTC |
| Report deadline | 1 Nov 2026, 8:16:16 UTC |
| Received | 27 Oct 2026, 11:19:30 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 637325 |
| Run time | 1 hours 9 min 23 sec |
| CPU time | 1 hours 4 min 5 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 4,571.92 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 893.79 MB |
| Peak swap size | 2.21 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
12:11:33 (14144): wrapper (7.9.26016): starting
12:11:33 (14144): 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
12:11:35 (14144): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:11:35 (14144): 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\4\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\4\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
13:19:11 (14144): C:/Windows/system32/cmd.exe exited; CPU time 3845.875000
13:19:11 (14144): 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: 48748469 bytes.
Dumping objects ->
{3835194} normal block at 0x0000029BEC2A1170, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835183} normal block at 0x0000029BEC2A0990, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835172} normal block at 0x0000029BEC2A1250, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835161} normal block at 0x0000029BEC2A1100, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835150} normal block at 0x0000029BEC2A0FB0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835119} normal block at 0x0000029BEC3C3930, 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) : {3835106} normal block at 0x0000029BEA856F40, 8 bytes long.
Data: < ƒê› > 00 00 83 EA 9B 02 00 00
{3833949} normal block at 0x0000029BEA857120, 8 bytes long.
Data: < *Eì› > 00 2A 45 EC 9B 02 00 00
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x0000029BEA861AC0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000029BEA84D770, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{290} normal block at 0x0000029BEA8637D0, 16 bytes long.
Data: <h=†ê› > 68 3D 86 EA 9B 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000029BEA8629C0, 16 bytes long.
Data: <@=†ê› > 40 3D 86 EA 9B 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000029BEA85CC00, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{287} normal block at 0x0000029BEA8634B0, 16 bytes long.
Data: < =†ê› > 18 3D 86 EA 9B 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000029BEA862FB0, 16 bytes long.
Data: <ð<†ê› > F0 3C 86 EA 9B 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000029BEA863370, 16 bytes long.
Data: <È<†ê› > C8 3C 86 EA 9B 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000029BEA8632D0, 16 bytes long.
Data: < <†ê› > A0 3C 86 EA 9B 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000029BEA85B180, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{282} normal block at 0x0000029BEA862F10, 16 bytes long.
Data: < \„ê› > 88 5C 84 EA 9B 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000029BEA85CB40, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{280} normal block at 0x0000029BEA862BF0, 16 bytes long.
Data: <`\„ê› > 60 5C 84 EA 9B 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000029BEA863230, 16 bytes long.
Data: <8\„ê› > 38 5C 84 EA 9B 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000029BEA862EC0, 16 bytes long.
Data: < \„ê› > 10 5C 84 EA 9B 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000029BEA862B00, 16 bytes long.
Data: <è[„ê› > E8 5B 84 EA 9B 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000029BEA8636E0, 16 bytes long.
Data: <À[„ê› > C0 5B 84 EA 9B 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000029BEA863280, 16 bytes long.
Data: < [„ê› > 98 5B 84 EA 9B 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000029BEA85CA80, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{272} normal block at 0x0000029BEA863460, 16 bytes long.
Data: <p[„ê› > 70 5B 84 EA 9B 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000029BEA845B70, 320 bytes long.
Data: <`4†ê› Ê…ê› > 60 34 86 EA 9B 02 00 00 80 CA 85 EA 9B 02 00 00
{270} normal block at 0x0000029BEA8630F0, 16 bytes long.
Data: < <†ê› > 80 3C 86 EA 9B 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000029BEA863640, 16 bytes long.
Data: <X<†ê› > 58 3C 86 EA 9B 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000029BEA85CE40, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{267} normal block at 0x0000029BEA8630A0, 16 bytes long.
Data: <0<†ê› > 30 3C 86 EA 9B 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000029BEA85CF00, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{265} normal block at 0x0000029BEA8633C0, 16 bytes long.
Data: <x;†ê› > 78 3B 86 EA 9B 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000029BEA862CE0, 16 bytes long.
Data: <P;†ê› > 50 3B 86 EA 9B 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000029BEA862B50, 16 bytes long.
Data: <(;†ê› > 28 3B 86 EA 9B 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000029BEA862970, 16 bytes long.
Data: < ;†ê› > 00 3B 86 EA 9B 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000029BEA863730, 16 bytes long.
Data: <Ø:†ê› > D8 3A 86 EA 9B 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000029BEA862E20, 16 bytes long.
Data: <°:†ê› > B0 3A 86 EA 9B 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000029BEA863190, 16 bytes long.
Data: <pµ…ê› > 70 B5 85 EA 9B 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000029BEA85B570, 40 bytes long.
Data: < 1†ê› 09<ì› > 90 31 86 EA 9B 02 00 00 30 39 3C EC 9B 02 00 00
{256} normal block at 0x0000029BEA863550, 16 bytes long.
Data: < :†ê› > 90 3A 86 EA 9B 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x0000029BEA862DD0, 16 bytes long.
Data: <h:†ê› > 68 3A 86 EA 9B 02 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x0000029BEA85CA20, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{253} normal block at 0x0000029BEA862AB0, 16 bytes long.
Data: <@:†ê› > 40 3A 86 EA 9B 02 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x0000029BEA863A40, 992 bytes long.
Data: <°*†ê› Ê…ê› > B0 2A 86 EA 9B 02 00 00 20 CA 85 EA 9B 02 00 00
{88} normal block at 0x0000029BEA85CEA0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{87} normal block at 0x0000029BEA856630, 16 bytes long.
Data: < ±…ê› > 10 B1 85 EA 9B 02 00 00 00 00 00 00 00 00 00 00
{86} normal block at 0x0000029BEA85B110, 40 bytes long.
Data: <0f…ê›  Î…ê› > 30 66 85 EA 9B 02 00 00 A0 CE 85 EA 9B 02 00 00
{65} normal block at 0x0000029BEA856D60, 16 bytes long.
Data: < êÀj÷ > 80 EA C0 6A F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000029BEA8569A0, 16 bytes long.
Data: <@éÀj÷ > 40 E9 C0 6A F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000029BEA856E00, 16 bytes long.
Data: <øW½j÷ > F8 57 BD 6A F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000029BEA8569F0, 16 bytes long.
Data: <ØW½j÷ > D8 57 BD 6A F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000029BEA856D10, 16 bytes long.
Data: <P ½j÷ > 50 04 BD 6A F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000029BEA856EF0, 16 bytes long.
Data: <0 ½j÷ > 30 04 BD 6A F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000029BEA856360, 16 bytes long.
Data: <à ½j÷ > E0 02 BD 6A F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000029BEA8564F0, 16 bytes long.
Data: < ½j÷ > 10 04 BD 6A F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x0000029BEA856CC0, 16 bytes long.
Data: <p ½j÷ > 70 04 BD 6A F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x0000029BEA856C70, 16 bytes long.
Data: < À»j÷ > 18 C0 BB 6A F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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