Task 38682375
| Name | test_784-GPUGRID_TEST_ATM_40STEP_20261023-19-40-RND7987_0 |
| Workunit | 31623992 |
| Created | 27 Oct 2026, 7:34:40 UTC |
| Sent | 27 Oct 2026, 7:34:46 UTC |
| Report deadline | 1 Nov 2026, 7:34:46 UTC |
| Received | 27 Oct 2026, 7:54:39 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 650591 |
| Run time | 18 min 48 sec |
| CPU time | 18 min 2 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 32,075.31 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 753.28 MB |
| Peak swap size | 12.97 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:35:53 (20184): wrapper (7.9.26016): starting
08:35:53 (20184): 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
08:35:54 (20184): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:35:54 (20184): 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 'G:\BOINC\DATA\slots\8\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 'G:\BOINC\DATA\slots\8\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
08:53:56 (20184): C:/Windows/system32/cmd.exe exited; CPU time 1082.531250
08:53:56 (20184): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 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: 16707319 bytes.
Dumping objects ->
{3835187} normal block at 0x00000186C4C28300, 48 bytes long.
Data: <PATH=G:\BOINC\DA> 50 41 54 48 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41
{3835176} normal block at 0x00000186C6A442C0, 32 bytes long.
Data: <HOME=G:\BOINC\DA> 48 4F 4D 45 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41
{3835165} normal block at 0x00000186C6A43720, 32 bytes long.
Data: <TMP=G:\BOINC\DAT> 54 4D 50 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41 54
{3835154} normal block at 0x00000186C6A42CA0, 32 bytes long.
Data: <TEMP=G:\BOINC\DA> 54 45 4D 50 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41
{3835143} normal block at 0x00000186C6A43D80, 32 bytes long.
Data: <TMPDIR=G:\BOINC\> 54 4D 50 44 49 52 3D 47 3A 5C 42 4F 49 4E 43 5C
{3835112} normal block at 0x00000186C4C28290, 48 bytes long.
Data: <PATH=G:\BOINC\DA> 50 41 54 48 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41
..\api\boinc_api.cpp(309) : {3835099} normal block at 0x00000186C4C1D2A0, 8 bytes long.
Data: < ņ > 00 00 14 C5 86 01 00 00
{3833951} normal block at 0x00000186C4C1D160, 8 bytes long.
Data: <àw¥Æ† > E0 77 A5 C6 86 01 00 00
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x00000186C4C217F0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000186C4C15FC0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{291} normal block at 0x00000186C4C26D10, 16 bytes long.
Data: < {倠 > 98 7B C2 C4 86 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000186C4C27080, 16 bytes long.
Data: <p{倠 > 70 7B C2 C4 86 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000186C4C1F300, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{288} normal block at 0x00000186C4C27030, 16 bytes long.
Data: <H{倠 > 48 7B C2 C4 86 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000186C4C26A40, 16 bytes long.
Data: < {倠 > 20 7B C2 C4 86 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000186C4C26DB0, 16 bytes long.
Data: <øzÂĆ > F8 7A C2 C4 86 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000186C4C27670, 16 bytes long.
Data: <ÐzÂĆ > D0 7A C2 C4 86 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000186C4C27EA0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{283} normal block at 0x00000186C4C26B30, 16 bytes long.
Data: <xŽÁĆ > 78 8E C1 C4 86 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000186C4C1F180, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{281} normal block at 0x00000186C4C26CC0, 16 bytes long.
Data: <PŽÁĆ > 50 8E C1 C4 86 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000186C4C273F0, 16 bytes long.
Data: <(ŽÁĆ > 28 8E C1 C4 86 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000186C4C26C70, 16 bytes long.
Data: < ŽÁĆ > 00 8E C1 C4 86 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000186C4C26C20, 16 bytes long.
Data: <؍ÁĆ > D8 8D C1 C4 86 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000186C4C26FE0, 16 bytes long.
Data: <°ÁĆ > B0 8D C1 C4 86 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000186C4C26B80, 16 bytes long.
Data: < ÁĆ > 88 8D C1 C4 86 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000186C4C1F840, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{273} normal block at 0x00000186C4C26BD0, 16 bytes long.
Data: <`ÁĆ > 60 8D C1 C4 86 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000186C4C18D60, 320 bytes long.
Data: <ÐkÂĆ @øÁĆ > D0 6B C2 C4 86 01 00 00 40 F8 C1 C4 86 01 00 00
{271} normal block at 0x00000186C4C268B0, 16 bytes long.
Data: <°zÂĆ > B0 7A C2 C4 86 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000186C4C26EF0, 16 bytes long.
Data: < z倠 > 88 7A C2 C4 86 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000186C4C1F7E0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{268} normal block at 0x00000186C4C27120, 16 bytes long.
Data: <`z倠 > 60 7A C2 C4 86 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000186C4C1F960, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{266} normal block at 0x00000186C4C27530, 16 bytes long.
Data: <¨yÂĆ > A8 79 C2 C4 86 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000186C4C27490, 16 bytes long.
Data: < y倠 > 80 79 C2 C4 86 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000186C4C26D60, 16 bytes long.
Data: <Xy倠 > 58 79 C2 C4 86 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000186C4C269F0, 16 bytes long.
Data: <0y倠 > 30 79 C2 C4 86 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000186C4C26EA0, 16 bytes long.
Data: < y倠 > 08 79 C2 C4 86 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000186C4C27800, 16 bytes long.
Data: <àxÂĆ > E0 78 C2 C4 86 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000186C4C270D0, 16 bytes long.
Data: <0ËÀĆ > 30 CB C0 C4 86 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000186C4C0CB30, 40 bytes long.
Data: <ÐpÂĆ ‚ÂĆ > D0 70 C2 C4 86 01 00 00 90 82 C2 C4 86 01 00 00
{257} normal block at 0x00000186C4C26AE0, 16 bytes long.
Data: <ÀxÂĆ > C0 78 C2 C4 86 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x00000186C4C27300, 16 bytes long.
Data: < x倠 > 98 78 C2 C4 86 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x00000186C4C1F540, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{254} normal block at 0x00000186C4C26E50, 16 bytes long.
Data: <px倠 > 70 78 C2 C4 86 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x00000186C4C27870, 992 bytes long.
Data: <PnÂĆ @õÁĆ > 50 6E C2 C4 86 01 00 00 40 F5 C1 C4 86 01 00 00
{89} normal block at 0x00000186C4C1F6C0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{88} normal block at 0x00000186C4C1DE80, 16 bytes long.
Data: <ÀÜÀĆ > C0 DC C0 C4 86 01 00 00 00 00 00 00 00 00 00 00
{87} normal block at 0x00000186C4C0DCC0, 40 bytes long.
Data: < ÞÁĆ ÀöÁĆ > 80 DE C1 C4 86 01 00 00 C0 F6 C1 C4 86 01 00 00
{66} normal block at 0x00000186C4C1DED0, 16 bytes long.
Data: < êO ö > 80 EA 4F 1F F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000186C4C1DD90, 16 bytes long.
Data: <@éO ö > 40 E9 4F 1F F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000186C4C1D250, 16 bytes long.
Data: <øWL ö > F8 57 4C 1F F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000186C4C1DC00, 16 bytes long.
Data: <ØWL ö > D8 57 4C 1F F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000186C4C1D110, 16 bytes long.
Data: <P L ö > 50 04 4C 1F F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000186C4C1DAC0, 16 bytes long.
Data: <0 L ö > 30 04 4C 1F F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000186C4C1DB10, 16 bytes long.
Data: <à L ö > E0 02 4C 1F F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x00000186C4C1DD40, 16 bytes long.
Data: < L ö > 10 04 4C 1F F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x00000186C4C1CFD0, 16 bytes long.
Data: <p L ö > 70 04 4C 1F F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x00000186C4C1D750, 16 bytes long.
Data: < ÀJ ö > 18 C0 4A 1F F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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