Task 38653649
| Name | test_258-GPUGRID_TEST_ATM_40STEP_20261023-2-40-RND9441_1 |
| Workunit | 31597455 |
| Created | 24 Oct 2026, 5:59:01 UTC |
| Sent | 24 Oct 2026, 6:06:50 UTC |
| Report deadline | 29 Oct 2026, 6:06:50 UTC |
| Received | 24 Oct 2026, 7:38:40 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 641542 |
| Run time | 1 hours 9 min 6 sec |
| CPU time | 1 hours 7 min 1 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 13,827.62 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 711.20 MB |
| Peak swap size | 6.86 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
07:21:43 (13908): wrapper (7.9.26016): starting
07:21:43 (13908): 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
07:21:45 (13908): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:21:45 (13908): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
'DOSKEY' is not recognized as an internal or external command,
operable program or batch file.
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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835455} normal block at 0x00000186652CDB80, 8 bytes long.
Data: < )e > 00 00 29 65 86 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833970} normal block at 0x0000018666F38EC0, 1080 bytes long.
Data: < ^ > BC 5E 00 00 CD CD CD CD B0 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x00000186652D1FF0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
08:18:16 (27644): wrapper (7.9.26016): starting
08:18:16 (27644): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
'DOSKEY' is not recognized as an internal or external command,
operable program or batch file.
A subdirectory or file C:\ProgramData\BOINC\slots\0\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
08:38:18 (27644): C:/Windows/system32/cmd.exe exited; CPU time 1172.687500
08:38:18 (27644): 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: 19488710 bytes.
Dumping objects ->
{1883} normal block at 0x000001BD47B35910, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1872} normal block at 0x000001BD47B356E0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1861} normal block at 0x000001BD47B35440, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1850} normal block at 0x000001BD47B354B0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1839} normal block at 0x000001BD47B35830, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1808} normal block at 0x000001BD47B1F8C0, 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) : {1795} normal block at 0x000001BD47B369F0, 8 bytes long.
Data: < G > 00 00 EF 47 BD 01 00 00
{311} normal block at 0x000001BD47B36400, 8 bytes long.
Data: < r G > E0 72 B3 47 BD 01 00 00
{302} normal block at 0x000001BD47B26890, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{301} normal block at 0x000001BD47B36630, 16 bytes long.
Data: < q G > E8 71 B3 47 BD 01 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000001BD47B36130, 16 bytes long.
Data: < q G > C0 71 B3 47 BD 01 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000001BD47B300A0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{298} normal block at 0x000001BD47B36220, 16 bytes long.
Data: < q G > 98 71 B3 47 BD 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001BD47B36810, 16 bytes long.
Data: <pq G > 70 71 B3 47 BD 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001BD47B36D60, 16 bytes long.
Data: <Hq G > 48 71 B3 47 BD 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001BD47B36B30, 16 bytes long.
Data: < q G > 20 71 B3 47 BD 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001BD47B35600, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{293} normal block at 0x000001BD47B36540, 16 bytes long.
Data: <8 G > 38 04 B2 47 BD 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001BD47B2FF80, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{291} normal block at 0x000001BD47B36D10, 16 bytes long.
Data: < G > 10 04 B2 47 BD 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001BD47B367C0, 16 bytes long.
Data: < G > E8 03 B2 47 BD 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001BD47B364F0, 16 bytes long.
Data: < G > C0 03 B2 47 BD 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001BD47B36900, 16 bytes long.
Data: < G > 98 03 B2 47 BD 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001BD47B368B0, 16 bytes long.
Data: <p G > 70 03 B2 47 BD 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001BD47B36040, 16 bytes long.
Data: <H G > 48 03 B2 47 BD 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001BD47B30340, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{283} normal block at 0x000001BD47B369A0, 16 bytes long.
Data: < G > 20 03 B2 47 BD 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001BD47B20320, 320 bytes long.
Data: < i G @ G > A0 69 B3 47 BD 01 00 00 40 03 B3 47 BD 01 00 00
{281} normal block at 0x000001BD47B36770, 16 bytes long.
Data: < q G > 00 71 B3 47 BD 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001BD47B36950, 16 bytes long.
Data: < p G > D8 70 B3 47 BD 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001BD47B305E0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{278} normal block at 0x000001BD47B365E0, 16 bytes long.
Data: < p G > B0 70 B3 47 BD 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001BD47B2FA40, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{276} normal block at 0x000001BD47B36720, 16 bytes long.
Data: < o G > F8 6F B3 47 BD 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001BD47B36CC0, 16 bytes long.
Data: < o G > D0 6F B3 47 BD 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001BD47B361D0, 16 bytes long.
Data: < o G > A8 6F B3 47 BD 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001BD47B36E00, 16 bytes long.
Data: < o G > 80 6F B3 47 BD 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001BD47B36AE0, 16 bytes long.
Data: <Xo G > 58 6F B3 47 BD 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001BD47B36C70, 16 bytes long.
Data: <0o G > 30 6F B3 47 BD 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001BD47B360E0, 16 bytes long.
Data: <`S G > 60 53 B3 47 BD 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001BD47B35360, 40 bytes long.
Data: < ` G G > E0 60 B3 47 BD 01 00 00 C0 F8 B1 47 BD 01 00 00
{267} normal block at 0x000001BD47B364A0, 16 bytes long.
Data: < o G > 10 6F B3 47 BD 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001BD47B366D0, 16 bytes long.
Data: < n G > E8 6E B3 47 BD 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001BD47B30100, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{264} normal block at 0x000001BD47B35FF0, 16 bytes long.
Data: < n G > C0 6E B3 47 BD 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001BD47B36EC0, 992 bytes long.
Data: < _ G G > F0 5F B3 47 BD 01 00 00 00 01 B3 47 BD 01 00 00
{99} normal block at 0x000001BD47B2F980, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{98} normal block at 0x000001BD47B2D990, 16 bytes long.
Data: < G > 10 EB B1 47 BD 01 00 00 00 00 00 00 00 00 00 00
{97} normal block at 0x000001BD47B1EB10, 40 bytes long.
Data: < G G > 90 D9 B2 47 BD 01 00 00 80 F9 B2 47 BD 01 00 00
{76} normal block at 0x000001BD47B2DF80, 16 bytes long.
Data: < > 80 EA 90 03 F6 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x000001BD47B2DD00, 16 bytes long.
Data: <@ > 40 E9 90 03 F6 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x000001BD47B2DF30, 16 bytes long.
Data: < W > F8 57 8D 03 F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000001BD47B2E6B0, 16 bytes long.
Data: < W > D8 57 8D 03 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001BD47B2DE40, 16 bytes long.
Data: <P > 50 04 8D 03 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001BD47B2DE90, 16 bytes long.
Data: <0 > 30 04 8D 03 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001BD47B2E250, 16 bytes long.
Data: < > E0 02 8D 03 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001BD47B2E160, 16 bytes long.
Data: < > 10 04 8D 03 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001BD47B2DC10, 16 bytes long.
Data: <p > 70 04 8D 03 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001BD47B2E480, 16 bytes long.
Data: < > 18 C0 8B 03 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra