Task 38684716
| Name | test_491-GPUGRID_TEST_ATM_40STEP_20261023-22-40-RND4542_0 |
| Workunit | 31626222 |
| Created | 27 Oct 2026, 17:39:42 UTC |
| Sent | 27 Oct 2026, 17:39:44 UTC |
| Report deadline | 1 Nov 2026, 17:39:44 UTC |
| Received | 27 Oct 2026, 20:24:25 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 590723 |
| Run time | 49 min 13 sec |
| CPU time | 43 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 | 699.73 MB |
| Peak swap size | 8.36 GB |
| Peak disk usage | 3.92 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
13:59:12 (13180): wrapper (7.9.26016): starting
13:59:12 (13180): 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
13:59:13 (13180): Library/usr/bin/tar.exe exited; CPU time 0.031250
13:59:13 (13180): 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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835420} normal block at 0x000001DDBD5AF220, 8 bytes long.
Data: < U > 00 00 55 BD DD 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833966} normal block at 0x000001DDBD68E990, 1080 bytes long.
Data: <X > 58 06 00 00 CD CD CD CD DC 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000001DDBD5A6620, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
14:32:58 (2928): wrapper (7.9.26016): starting
14:32:58 (2928): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1762} normal block at 0x0000023C2A2D6790, 8 bytes long.
Data: < +< > 00 00 D3 2B 3C 02 00 00
..\lib\diagnostics_win.cpp(417) : {308} normal block at 0x0000023C2A2D6EF0, 1080 bytes long.
Data: < k H > 88 6B 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
14:38:02 (7244): wrapper (7.9.26016): starting
14:38:02 (7244): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
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
15:24:02 (7244): C:/Windows/system32/cmd.exe exited; CPU time 2507.687500
15:24:02 (7244): 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: 42761034 bytes.
Dumping objects ->
{1850} normal block at 0x00000154B1E55080, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1839} normal block at 0x00000154B1E55010, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1828} normal block at 0x00000154B1E55470, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1817} normal block at 0x00000154B1E54FA0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1806} normal block at 0x00000154B1E55400, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1775} normal block at 0x00000154B1E4A4C0, 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) : {1762} normal block at 0x00000154B1E56970, 8 bytes long.
Data: < # T > 00 00 23 B2 54 01 00 00
{309} normal block at 0x00000154B1E56330, 8 bytes long.
Data: < o T > 90 6F E5 B1 54 01 00 00
{300} normal block at 0x00000154B1E477A0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{299} normal block at 0x00000154B1E55D90, 16 bytes long.
Data: < n T > 98 6E E5 B1 54 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x00000154B1E564C0, 16 bytes long.
Data: <pn T > 70 6E E5 B1 54 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x00000154B1E50350, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{296} normal block at 0x00000154B1E566A0, 16 bytes long.
Data: <Hn T > 48 6E E5 B1 54 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000154B1E56A60, 16 bytes long.
Data: < n T > 20 6E E5 B1 54 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000154B1E561A0, 16 bytes long.
Data: < m T > F8 6D E5 B1 54 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000154B1E56A10, 16 bytes long.
Data: < m T > D0 6D E5 B1 54 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000154B1E54F30, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{291} normal block at 0x00000154B1E56560, 16 bytes long.
Data: < T > A8 FF E3 B1 54 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000154B1E50950, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{289} normal block at 0x00000154B1E56510, 16 bytes long.
Data: < T > 80 FF E3 B1 54 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000154B1E56600, 16 bytes long.
Data: <X T > 58 FF E3 B1 54 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000154B1E56240, 16 bytes long.
Data: <0 T > 30 FF E3 B1 54 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000154B1E56380, 16 bytes long.
Data: < T > 08 FF E3 B1 54 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000154B1E55E80, 16 bytes long.
Data: < T > E0 FE E3 B1 54 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000154B1E562E0, 16 bytes long.
Data: < T > B8 FE E3 B1 54 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000154B1E50650, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{281} normal block at 0x00000154B1E55CF0, 16 bytes long.
Data: < T > 90 FE E3 B1 54 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000154B1E3FE90, 320 bytes long.
Data: < \ T P T > F0 5C E5 B1 54 01 00 00 50 06 E5 B1 54 01 00 00
{279} normal block at 0x00000154B1E56470, 16 bytes long.
Data: < m T > B0 6D E5 B1 54 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000154B1E55C00, 16 bytes long.
Data: < m T > 88 6D E5 B1 54 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000154B1E51190, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{276} normal block at 0x00000154B1E56290, 16 bytes long.
Data: <`m T > 60 6D E5 B1 54 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000154B1E50A10, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{274} normal block at 0x00000154B1E561F0, 16 bytes long.
Data: < l T > A8 6C E5 B1 54 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000154B1E55D40, 16 bytes long.
Data: < l T > 80 6C E5 B1 54 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000154B1E56100, 16 bytes long.
Data: <Xl T > 58 6C E5 B1 54 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000154B1E55E30, 16 bytes long.
Data: <0l T > 30 6C E5 B1 54 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000154B1E56AB0, 16 bytes long.
Data: < l T > 08 6C E5 B1 54 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000154B1E55BB0, 16 bytes long.
Data: < k T > E0 6B E5 B1 54 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000154B1E563D0, 16 bytes long.
Data: < S T > 90 53 E5 B1 54 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000154B1E55390, 40 bytes long.
Data: < c T T > D0 63 E5 B1 54 01 00 00 C0 A4 E4 B1 54 01 00 00
{265} normal block at 0x00000154B1E569C0, 16 bytes long.
Data: < k T > C0 6B E5 B1 54 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000154B1E55F70, 16 bytes long.
Data: < k T > 98 6B E5 B1 54 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000154B1E50D10, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{262} normal block at 0x00000154B1E55DE0, 16 bytes long.
Data: <pk T > 70 6B E5 B1 54 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000154B1E56B70, 992 bytes long.
Data: < ] T T > E0 5D E5 B1 54 01 00 00 10 0D E5 B1 54 01 00 00
{97} normal block at 0x00000154B1E50FB0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{96} normal block at 0x00000154B1E4F430, 16 bytes long.
Data: <p T > 70 CC E3 B1 54 01 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x00000154B1E3CC70, 40 bytes long.
Data: <0 T T > 30 F4 E4 B1 54 01 00 00 B0 0F E5 B1 54 01 00 00
{74} normal block at 0x00000154B1E4E940, 16 bytes long.
Data: < > 80 EA A0 B0 F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x00000154B1E4E850, 16 bytes long.
Data: <@ > 40 E9 A0 B0 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x00000154B1E4EFD0, 16 bytes long.
Data: < W > F8 57 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000154B1E4EDF0, 16 bytes long.
Data: < W > D8 57 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000154B1E4ED50, 16 bytes long.
Data: <P > 50 04 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000154B1E4EA80, 16 bytes long.
Data: <0 > 30 04 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000154B1E4E7B0, 16 bytes long.
Data: < > E0 02 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000154B1E4EB70, 16 bytes long.
Data: < > 10 04 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000154B1E4EF80, 16 bytes long.
Data: <p > 70 04 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000154B1E4EE90, 16 bytes long.
Data: < > 18 C0 9B B0 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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