Task 38696806
| Name | test_317-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND5431_0 |
| Workunit | 31637422 |
| Created | 1 Nov 2026, 4:56:55 UTC |
| Sent | 1 Nov 2026, 4:57:04 UTC |
| Report deadline | 6 Nov 2026, 4:57:04 UTC |
| Received | 1 Nov 2026, 5:49:45 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 637713 |
| Run time | 51 min 17 sec |
| CPU time | 48 min 41 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 9,255.46 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 733.61 MB |
| Peak swap size | 11.37 GB |
| Peak disk usage | 4.07 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
04:58:02 (60112): wrapper (7.9.26016): starting
04:58:02 (60112): 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
04:58:03 (60112): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:58:03 (60112): 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\1\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\1\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
05:48:29 (60112): C:/Windows/system32/cmd.exe exited; CPU time 2921.218750
05:48:29 (60112): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 76420113 bytes.
Dumping objects ->
{3835571} normal block at 0x000002D3A5ACD970, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835560} normal block at 0x000002D3A5ACD740, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835549} normal block at 0x000002D3A5ACDE40, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835538} normal block at 0x000002D3A3DC57F0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835527} normal block at 0x000002D3A3DC5780, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835496} normal block at 0x000002D3A5B1B500, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835485} normal block at 0x000002D3A3E1D290, 140 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) : {3835482} normal block at 0x000002D3A3DBDCB0, 8 bytes long.
Data: < Õ£Ó > 00 00 D5 A3 D3 02 00 00
{3834700} normal block at 0x000002D3A3E1BB00, 140 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833965} normal block at 0x000002D3A3DBDF30, 8 bytes long.
Data: <P¾Þ£Ó > 50 BE DE A3 D3 02 00 00
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000002D3A3DC1A30, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000002D3A3DB6C80, 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 0x000002D3A3DC6620, 16 bytes long.
Data: <hsÜ£Ó > 68 73 DC A3 D3 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000002D3A3DC6C10, 16 bytes long.
Data: <@sÜ£Ó > 40 73 DC A3 D3 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000002D3A3DC0040, 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 0x000002D3A3DC6530, 16 bytes long.
Data: < sÜ£Ó > 18 73 DC A3 D3 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002D3A3DC6210, 16 bytes long.
Data: <ðrÜ£Ó > F0 72 DC A3 D3 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002D3A3DC6A80, 16 bytes long.
Data: <ÈrÜ£Ó > C8 72 DC A3 D3 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002D3A3DC6940, 16 bytes long.
Data: < rÜ£Ó > A0 72 DC A3 D3 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002D3A3DC58D0, 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 0x000002D3A3DC6A30, 16 bytes long.
Data: <8 Û£Ó > 38 98 DB A3 D3 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002D3A3DC06A0, 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 0x000002D3A3DC6990, 16 bytes long.
Data: < Û£Ó > 10 98 DB A3 D3 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002D3A3DC6C60, 16 bytes long.
Data: <è—Û£Ó > E8 97 DB A3 D3 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002D3A3DC6AD0, 16 bytes long.
Data: <À—Û£Ó > C0 97 DB A3 D3 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002D3A3DC64E0, 16 bytes long.
Data: < —Û£Ó > 98 97 DB A3 D3 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002D3A3DC6F80, 16 bytes long.
Data: <p—Û£Ó > 70 97 DB A3 D3 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002D3A3DC69E0, 16 bytes long.
Data: <H—Û£Ó > 48 97 DB A3 D3 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002D3A3DC0640, 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 0x000002D3A3DC66C0, 16 bytes long.
Data: < —Û£Ó > 20 97 DB A3 D3 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002D3A3DB9720, 320 bytes long.
Data: <ÀfÜ£Ó @ Ü£Ó > C0 66 DC A3 D3 02 00 00 40 06 DC A3 D3 02 00 00
{278} normal block at 0x000002D3A3DC6670, 16 bytes long.
Data: < rÜ£Ó > 80 72 DC A3 D3 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002D3A3DC6580, 16 bytes long.
Data: <XrÜ£Ó > 58 72 DC A3 D3 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002D3A3DC0220, 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 0x000002D3A3DC65D0, 16 bytes long.
Data: <0rÜ£Ó > 30 72 DC A3 D3 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002D3A3DC0820, 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 0x000002D3A3DC6B20, 16 bytes long.
Data: <xqÜ£Ó > 78 71 DC A3 D3 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002D3A3DC6490, 16 bytes long.
Data: <PqÜ£Ó > 50 71 DC A3 D3 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002D3A3DC6B70, 16 bytes long.
Data: <(qÜ£Ó > 28 71 DC A3 D3 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002D3A3DC63F0, 16 bytes long.
Data: < qÜ£Ó > 00 71 DC A3 D3 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002D3A3DC63A0, 16 bytes long.
Data: <ØpÜ£Ó > D8 70 DC A3 D3 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002D3A3DC6DA0, 16 bytes long.
Data: <°pÜ£Ó > B0 70 DC A3 D3 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002D3A3DC6350, 16 bytes long.
Data: <`XÜ£Ó > 60 58 DC A3 D3 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002D3A3DC5860, 40 bytes long.
Data: <PcÜ£Ó µ±¥Ó > 50 63 DC A3 D3 02 00 00 00 B5 B1 A5 D3 02 00 00
{264} normal block at 0x000002D3A3DC6E40, 16 bytes long.
Data: < pÜ£Ó > 90 70 DC A3 D3 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002D3A3DC61C0, 16 bytes long.
Data: <hpÜ£Ó > 68 70 DC A3 D3 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002D3A3DC01C0, 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 0x000002D3A3DC6D50, 16 bytes long.
Data: <@pÜ£Ó > 40 70 DC A3 D3 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000002D3A3DC7040, 992 bytes long.
Data: <PmÜ£Ó À Ü£Ó > 50 6D DC A3 D3 02 00 00 C0 01 DC A3 D3 02 00 00
{96} normal block at 0x000002D3A3DBF9E0, 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 0x000002D3A3DBE3E0, 16 bytes long.
Data: <àTÜ£Ó > E0 54 DC A3 D3 02 00 00 00 00 00 00 00 00 00 00
{94} normal block at 0x000002D3A3DC54E0, 40 bytes long.
Data: <àãÛ£Ó àùÛ£Ó > E0 E3 DB A3 D3 02 00 00 E0 F9 DB A3 D3 02 00 00
{73} normal block at 0x000002D3A3DBE660, 16 bytes long.
Data: < ê ¾÷ > 80 EA 9D BE F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000002D3A3DBE2F0, 16 bytes long.
Data: <@é ¾÷ > 40 E9 9D BE F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000002D3A3DBDE90, 16 bytes long.
Data: <øWš¾÷ > F8 57 9A BE F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000002D3A3DBDE40, 16 bytes long.
Data: <ØWš¾÷ > D8 57 9A BE F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002D3A3DBDAD0, 16 bytes long.
Data: <P š¾÷ > 50 04 9A BE F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002D3A3DBE7F0, 16 bytes long.
Data: <0 š¾÷ > 30 04 9A BE F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002D3A3DBDBC0, 16 bytes long.
Data: <à š¾÷ > E0 02 9A BE F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002D3A3DBE890, 16 bytes long.
Data: < š¾÷ > 10 04 9A BE F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002D3A3DBDC10, 16 bytes long.
Data: <p š¾÷ > 70 04 9A BE F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002D3A3DBE7A0, 16 bytes long.
Data: < À ¾÷ > 18 C0 98 BE F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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