Task 38650815
| Name | test_895-GPUGRID_TEST_ATM_4STEP_20261023-0-4-RND8126_1 |
| Workunit | 31592753 |
| Created | 24 Oct 2026, 0:18:34 UTC |
| Sent | 24 Oct 2026, 4:58:19 UTC |
| Report deadline | 29 Oct 2026, 4:58:19 UTC |
| Received | 24 Oct 2026, 7:02:03 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 651905 |
| Run time | 28 min 21 sec |
| CPU time | 21 min 38 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 15,624.74 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 740.31 MB |
| Peak swap size | 6.90 GB |
| Peak disk usage | 2.97 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
09:34:23 (65384): wrapper (7.9.26016): starting
09:34:23 (65384): 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
09:34:24 (65384): Library/usr/bin/tar.exe exited; CPU time 0.015625
09:34:24 (65384): 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\0\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\0\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
10:01:44 (65384): C:/Windows/system32/cmd.exe exited; CPU time 1298.781250
10:01:44 (65384): called boinc_finish(0)
0 bytes in 0 Free Blocks.
496 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: 23347123 bytes.
Dumping objects ->
{3835554} normal block at 0x0000020945464AB0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835543} normal block at 0x00000209454643B0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835532} normal block at 0x0000020943855530, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835521} normal block at 0x00000209438554C0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835510} normal block at 0x0000020943855450, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835479} normal block at 0x00000209453DB4A0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835468} normal block at 0x00000209454340A0, 120 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) : {3835465} normal block at 0x000002094384E220, 8 bytes long.
Data: < ÁC > 00 00 C1 43 09 02 00 00
{3834692} normal block at 0x0000020945433DA0, 120 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833961} normal block at 0x000002094384E720, 8 bytes long.
Data: <p¼‡C > 70 BC 87 43 09 02 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000020943852230, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000020943846DA0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{296} normal block at 0x00000209438563F0, 16 bytes long.
Data: < q…C > 88 71 85 43 09 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000020943856CB0, 16 bytes long.
Data: <`q…C > 60 71 85 43 09 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000020943850620, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{293} normal block at 0x0000020943856300, 16 bytes long.
Data: <8q…C > 38 71 85 43 09 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000020943856C60, 16 bytes long.
Data: < q…C > 10 71 85 43 09 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000020943856AD0, 16 bytes long.
Data: <èp…C > E8 70 85 43 09 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000020943856120, 16 bytes long.
Data: <Àp…C > C0 70 85 43 09 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000020943855610, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{288} normal block at 0x0000020943856030, 16 bytes long.
Data: <¸—„C > B8 97 84 43 09 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000020943850920, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{286} normal block at 0x0000020943856B70, 16 bytes long.
Data: <—„C > 90 97 84 43 09 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000020943856C10, 16 bytes long.
Data: <h—„C > 68 97 84 43 09 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000209438567B0, 16 bytes long.
Data: <@—„C > 40 97 84 43 09 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000209438568A0, 16 bytes long.
Data: < —„C > 18 97 84 43 09 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000209438563A0, 16 bytes long.
Data: <ð–„C > F0 96 84 43 09 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000209438564E0, 16 bytes long.
Data: <È–„C > C8 96 84 43 09 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002094384FF00, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{278} normal block at 0x0000020943856170, 16 bytes long.
Data: < –„C > A0 96 84 43 09 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000209438496A0, 320 bytes long.
Data: <pa…C ÿ„C > 70 61 85 43 09 02 00 00 00 FF 84 43 09 02 00 00
{276} normal block at 0x00000209438569E0, 16 bytes long.
Data: < p…C > A0 70 85 43 09 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000020943856990, 16 bytes long.
Data: <xp…C > 78 70 85 43 09 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000020943850860, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{273} normal block at 0x0000020943856B20, 16 bytes long.
Data: <Pp…C > 50 70 85 43 09 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000020943850140, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{271} normal block at 0x0000020943856210, 16 bytes long.
Data: < o…C > 98 6F 85 43 09 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000020943856A80, 16 bytes long.
Data: <po…C > 70 6F 85 43 09 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000020943855EA0, 16 bytes long.
Data: <Ho…C > 48 6F 85 43 09 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000209438560D0, 16 bytes long.
Data: < o…C > 20 6F 85 43 09 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000209438561C0, 16 bytes long.
Data: <øn…C > F8 6E 85 43 09 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000020943856530, 16 bytes long.
Data: <Ðn…C > D0 6E 85 43 09 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000020943856800, 16 bytes long.
Data: <R…C > 90 52 85 43 09 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000020943855290, 40 bytes long.
Data: < h…C  ´=E > 00 68 85 43 09 02 00 00 A0 B4 3D 45 09 02 00 00
{262} normal block at 0x0000020943856940, 16 bytes long.
Data: <°n…C > B0 6E 85 43 09 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000020943855FE0, 16 bytes long.
Data: < n…C > 88 6E 85 43 09 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000020943850AA0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{259} normal block at 0x00000209438565D0, 16 bytes long.
Data: <`n…C > 60 6E 85 43 09 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000020943856E60, 992 bytes long.
Data: <Ðe…C   …C > D0 65 85 43 09 02 00 00 A0 0A 85 43 09 02 00 00
{94} normal block at 0x000002094384FD80, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{93} normal block at 0x000002094384E6D0, 16 bytes long.
Data: <Ðõ„C > D0 F5 84 43 09 02 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x000002094384F5D0, 40 bytes long.
Data: <Ðæ„C €ý„C > D0 E6 84 43 09 02 00 00 80 FD 84 43 09 02 00 00
{71} normal block at 0x000002094384DB40, 16 bytes long.
Data: <€ê/#÷ > 80 EA 2F 23 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000002094384DAF0, 16 bytes long.
Data: <@é/#÷ > 40 E9 2F 23 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002094384E0E0, 16 bytes long.
Data: <øW,#÷ > F8 57 2C 23 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002094384DC30, 16 bytes long.
Data: <ØW,#÷ > D8 57 2C 23 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002094384DE60, 16 bytes long.
Data: <P ,#÷ > 50 04 2C 23 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002094384E590, 16 bytes long.
Data: <0 ,#÷ > 30 04 2C 23 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002094384E090, 16 bytes long.
Data: <à ,#÷ > E0 02 2C 23 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002094384DBE0, 16 bytes long.
Data: < ,#÷ > 10 04 2C 23 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002094384E680, 16 bytes long.
Data: <p ,#÷ > 70 04 2C 23 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002094384E360, 16 bytes long.
Data: < À*#÷ > 18 C0 2A 23 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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