Task 38679642
| Name | test_876-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND1465_0 |
| Workunit | 31621409 |
| Created | 26 Oct 2026, 21:14:50 UTC |
| Sent | 26 Oct 2026, 21:14:55 UTC |
| Report deadline | 31 Oct 2026, 21:14:55 UTC |
| Received | 28 Oct 2026, 8:33:17 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 648117 |
| Run time | 21 min 18 sec |
| CPU time | 19 min 34 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 32,121.39 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 704.14 MB |
| Peak swap size | 6.95 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
22:32:14 (35076): wrapper (7.9.26016): starting
22:32:14 (35076): 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
22:32:15 (35076): Library/usr/bin/tar.exe exited; CPU time 0.015625
22:32:15 (35076): 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 'E:\BOINC\data\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 'E:\BOINC\data\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.
09:26:15 (43252): wrapper (7.9.26016): starting
09:26:15 (43252): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file E:\BOINC\data\slots\1\tmp already exists.
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
09:31:43 (43252): C:/Windows/system32/cmd.exe exited; CPU time 297.078125
09:31:43 (43252): called boinc_finish(0)
0 bytes in 0 Free Blocks.
380 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: 7522851 bytes.
Dumping objects ->
{1648} normal block at 0x0000020176E643B0, 48 bytes long.
Data: <PATH=E:\BOINC\da> 50 41 54 48 3D 45 3A 5C 42 4F 49 4E 43 5C 64 61
{1637} normal block at 0x0000020176E615E0, 32 bytes long.
Data: <HOME=E:\BOINC\da> 48 4F 4D 45 3D 45 3A 5C 42 4F 49 4E 43 5C 64 61
{1626} normal block at 0x0000020176E60DA0, 32 bytes long.
Data: <TMP=E:\BOINC\dat> 54 4D 50 3D 45 3A 5C 42 4F 49 4E 43 5C 64 61 74
{1615} normal block at 0x0000020176E61460, 32 bytes long.
Data: <TEMP=E:\BOINC\da> 54 45 4D 50 3D 45 3A 5C 42 4F 49 4E 43 5C 64 61
{1604} normal block at 0x0000020176E61820, 32 bytes long.
Data: <TMPDIR=E:\BOINC\> 54 4D 50 44 49 52 3D 45 3A 5C 42 4F 49 4E 43 5C
{1573} normal block at 0x0000020176E649D0, 48 bytes long.
Data: <PATH=E:\BOINC\da> 50 41 54 48 3D 45 3A 5C 42 4F 49 4E 43 5C 64 61
{1562} normal block at 0x0000020176E66050, 102 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) : {1559} normal block at 0x0000020176E66460, 8 bytes long.
Data: < /w > 00 00 2F 77 01 02 00 00
{927} normal block at 0x0000020176E66110, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{314} normal block at 0x0000020176E66FF0, 8 bytes long.
Data: < [ v > D0 5B E6 76 01 02 00 00
{305} normal block at 0x0000020176E580C0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{304} normal block at 0x0000020176E66D20, 16 bytes long.
Data: < u v > 18 75 E6 76 01 02 00 00 00 00 00 00 00 00 00 00
{303} normal block at 0x0000020176E66C80, 16 bytes long.
Data: < t v > F0 74 E6 76 01 02 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x0000020176E614C0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{301} normal block at 0x0000020176E66FA0, 16 bytes long.
Data: < t v > C8 74 E6 76 01 02 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x0000020176E66AF0, 16 bytes long.
Data: < t v > A0 74 E6 76 01 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x0000020176E66F00, 16 bytes long.
Data: <xt v > 78 74 E6 76 01 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000020176E66C30, 16 bytes long.
Data: <Pt v > 50 74 E6 76 01 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000020176E64960, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{296} normal block at 0x0000020176E67130, 16 bytes long.
Data: < v > E8 06 E5 76 01 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000020176E60C80, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{294} normal block at 0x0000020176E666E0, 16 bytes long.
Data: < v > C0 06 E5 76 01 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000020176E66EB0, 16 bytes long.
Data: < v > 98 06 E5 76 01 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000020176E66640, 16 bytes long.
Data: <p v > 70 06 E5 76 01 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000020176E665F0, 16 bytes long.
Data: <H v > 48 06 E5 76 01 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000020176E66E60, 16 bytes long.
Data: < v > 20 06 E5 76 01 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000020176E66870, 16 bytes long.
Data: < v > F8 05 E5 76 01 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000020176E61400, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{286} normal block at 0x0000020176E665A0, 16 bytes long.
Data: < v > D0 05 E5 76 01 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000020176E505D0, 320 bytes long.
Data: < e v v > A0 65 E6 76 01 02 00 00 00 14 E6 76 01 02 00 00
{284} normal block at 0x0000020176E66BE0, 16 bytes long.
Data: <0t v > 30 74 E6 76 01 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000020176E66E10, 16 bytes long.
Data: < t v > 08 74 E6 76 01 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000020176E60F80, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{281} normal block at 0x0000020176E66820, 16 bytes long.
Data: < s v > E0 73 E6 76 01 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000020176E61580, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{279} normal block at 0x0000020176E66A50, 16 bytes long.
Data: <(s v > 28 73 E6 76 01 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000020176E66B40, 16 bytes long.
Data: < s v > 00 73 E6 76 01 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000020176E66550, 16 bytes long.
Data: < r v > D8 72 E6 76 01 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000020176E66CD0, 16 bytes long.
Data: < r v > B0 72 E6 76 01 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000020176E66F50, 16 bytes long.
Data: < r v > 88 72 E6 76 01 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000020176E66B90, 16 bytes long.
Data: <`r v > 60 72 E6 76 01 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000020176E66410, 16 bytes long.
Data: < H v > F0 48 E6 76 01 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000020176E648F0, 40 bytes long.
Data: < d v I v > 10 64 E6 76 01 02 00 00 D0 49 E6 76 01 02 00 00
{270} normal block at 0x0000020176E664B0, 16 bytes long.
Data: <@r v > 40 72 E6 76 01 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000020176E663C0, 16 bytes long.
Data: < r v > 18 72 E6 76 01 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000020176E61520, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{267} normal block at 0x0000020176E66DC0, 16 bytes long.
Data: < q v > F0 71 E6 76 01 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000020176E671F0, 992 bytes long.
Data: < m v v > C0 6D E6 76 01 02 00 00 20 15 E6 76 01 02 00 00
{102} normal block at 0x0000020176E61760, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{101} normal block at 0x0000020176E5ECE0, 16 bytes long.
Data: < E v > E0 45 E6 76 01 02 00 00 00 00 00 00 00 00 00 00
{100} normal block at 0x0000020176E645E0, 40 bytes long.
Data: < v ` v > E0 EC E5 76 01 02 00 00 60 17 E6 76 01 02 00 00
{79} normal block at 0x0000020176E5EF60, 16 bytes long.
Data: < }d > 80 EA 7D 64 F7 7F 00 00 00 00 00 00 00 00 00 00
{78} normal block at 0x0000020176E5F5F0, 16 bytes long.
Data: <@ }d > 40 E9 7D 64 F7 7F 00 00 00 00 00 00 00 00 00 00
{77} normal block at 0x0000020176E5F3C0, 16 bytes long.
Data: < Wzd > F8 57 7A 64 F7 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x0000020176E5F820, 16 bytes long.
Data: < Wzd > D8 57 7A 64 F7 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x0000020176E5F190, 16 bytes long.
Data: <P zd > 50 04 7A 64 F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x0000020176E5F0F0, 16 bytes long.
Data: <0 zd > 30 04 7A 64 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x0000020176E5ED80, 16 bytes long.
Data: < zd > E0 02 7A 64 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000020176E5F370, 16 bytes long.
Data: < zd > 10 04 7A 64 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000020176E5F730, 16 bytes long.
Data: <p zd > 70 04 7A 64 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000020176E5EBA0, 16 bytes long.
Data: < xd > 18 C0 78 64 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra