Task 38651693
| Name | test_111-GPUGRID_TEST_ATM_40STEP_20261023-2-40-RND4126_0 |
| Workunit | 31596022 |
| Created | 24 Oct 2026, 2:19:33 UTC |
| Sent | 24 Oct 2026, 2:27:34 UTC |
| Report deadline | 29 Oct 2026, 2:27:34 UTC |
| Received | 25 Oct 2026, 1:07:27 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 629480 |
| Run time | 23 min 55 sec |
| CPU time | 23 min 21 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 22,590.50 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 733.84 MB |
| Peak swap size | 9.91 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
21:30:06 (16956): wrapper (7.9.26016): starting
21:30:06 (16956): 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
21:30:07 (16956): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:30:07 (16956): 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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835431} normal block at 0x00000284C003F190, 8 bytes long.
Data: < > 00 00 FF BF 84 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833958} normal block at 0x00000284C1CD9F10, 1080 bytes long.
Data: <d > 64 11 00 00 CD CD CD CD 98 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x00000284C0041250, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
12:03:06 (42188): wrapper (7.9.26016): starting
12:03:06 (42188): 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\1\tmp already exists.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1777} normal block at 0x0000025DD4DD5740, 8 bytes long.
Data: < ] > 00 00 DA D4 5D 02 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x0000025DD4DD6530, 1080 bytes long.
Data: < H > A4 09 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
12:06:09 (11604): wrapper (7.9.26016): starting
12:06:09 (11604): 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\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1777} normal block at 0x0000021E18BF5D10, 8 bytes long.
Data: < > 00 00 B9 18 1E 02 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x0000021E18BF66A0, 1080 bytes long.
Data: < H > 08 9B 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
12:22:54 (46456): wrapper (7.9.26016): starting
12:22:54 (46456): 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\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1777} normal block at 0x000001F005605890, 8 bytes long.
Data: < Y > 00 00 59 05 F0 01 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x000001F005606540, 1080 bytes long.
Data: < t L > E0 74 00 00 CD CD CD CD 4C 01 00 00 00 00 00 00
Object dump complete.
12:30:51 (44868): wrapper (7.9.26016): starting
12:30:51 (44868): 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\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
12:47:34 (44868): C:/Windows/system32/cmd.exe exited; CPU time 985.187500
12:47:34 (44868): 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: 20039892 bytes.
Dumping objects ->
{1865} normal block at 0x0000021CAE4E4950, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1854} normal block at 0x0000021CAE4E4D40, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1843} normal block at 0x0000021CAE4E4DB0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1832} normal block at 0x0000021CAE4E4790, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1821} normal block at 0x0000021CAE4E4A30, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1790} normal block at 0x0000021CAE4D9060, 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) : {1777} normal block at 0x0000021CAE4E59F0, 8 bytes long.
Data: < K > 00 00 4B AE 1C 02 00 00
{305} normal block at 0x0000021CAE4E5EA0, 8 bytes long.
Data: < fN > A0 66 4E AE 1C 02 00 00
{296} normal block at 0x0000021CAE4D6580, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{295} normal block at 0x0000021CAE4E58B0, 16 bytes long.
Data: < eN > A8 65 4E AE 1C 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000021CAE4E5950, 16 bytes long.
Data: < eN > 80 65 4E AE 1C 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000021CAE4DFCC0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{292} normal block at 0x0000021CAE4E5360, 16 bytes long.
Data: <XeN > 58 65 4E AE 1C 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000021CAE4E52C0, 16 bytes long.
Data: <0eN > 30 65 4E AE 1C 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000021CAE4E5310, 16 bytes long.
Data: < eN > 08 65 4E AE 1C 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000021CAE4E5DB0, 16 bytes long.
Data: < dN > E0 64 4E AE 1C 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000021CAE4E48E0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{287} normal block at 0x0000021CAE4E5D60, 16 bytes long.
Data: < L > D8 B5 4C AE 1C 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000021CAE4DFC60, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{285} normal block at 0x0000021CAE4E5D10, 16 bytes long.
Data: < L > B0 B5 4C AE 1C 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000021CAE4E6210, 16 bytes long.
Data: < L > 88 B5 4C AE 1C 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000021CAE4E5A90, 16 bytes long.
Data: <` L > 60 B5 4C AE 1C 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000021CAE4E55E0, 16 bytes long.
Data: <8 L > 38 B5 4C AE 1C 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000021CAE4E6120, 16 bytes long.
Data: < L > 10 B5 4C AE 1C 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000021CAE4E5E50, 16 bytes long.
Data: < L > E8 B4 4C AE 1C 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000021CAE4DFF00, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{277} normal block at 0x0000021CAE4E5FE0, 16 bytes long.
Data: < L > C0 B4 4C AE 1C 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000021CAE4CB4C0, 320 bytes long.
Data: < _N M > E0 5F 4E AE 1C 02 00 00 00 FF 4D AE 1C 02 00 00
{275} normal block at 0x0000021CAE4E60D0, 16 bytes long.
Data: < dN > C0 64 4E AE 1C 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000021CAE4E5CC0, 16 bytes long.
Data: < dN > 98 64 4E AE 1C 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000021CAE4DFAE0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{272} normal block at 0x0000021CAE4E5E00, 16 bytes long.
Data: <pdN > 70 64 4E AE 1C 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000021CAE4DFE40, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{270} normal block at 0x0000021CAE4E5C70, 16 bytes long.
Data: < cN > B8 63 4E AE 1C 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000021CAE4E6170, 16 bytes long.
Data: < cN > 90 63 4E AE 1C 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000021CAE4E6030, 16 bytes long.
Data: <hcN > 68 63 4E AE 1C 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000021CAE4E61C0, 16 bytes long.
Data: <@cN > 40 63 4E AE 1C 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000021CAE4E57C0, 16 bytes long.
Data: < cN > 18 63 4E AE 1C 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000021CAE4E5810, 16 bytes long.
Data: < bN > F0 62 4E AE 1C 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000021CAE4E6080, 16 bytes long.
Data: <pHN > 70 48 4E AE 1C 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000021CAE4E4870, 40 bytes long.
Data: < `N ` M > 80 60 4E AE 1C 02 00 00 60 90 4D AE 1C 02 00 00
{261} normal block at 0x0000021CAE4E5EF0, 16 bytes long.
Data: < bN > D0 62 4E AE 1C 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000021CAE4E53B0, 16 bytes long.
Data: < bN > A8 62 4E AE 1C 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000021CAE4DFA80, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{258} normal block at 0x0000021CAE4E5860, 16 bytes long.
Data: < bN > 80 62 4E AE 1C 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000021CAE4E6280, 992 bytes long.
Data: <`XN M > 60 58 4E AE 1C 02 00 00 80 FA 4D AE 1C 02 00 00
{93} normal block at 0x0000021CAE4E0560, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{92} normal block at 0x0000021CAE4DEB30, 16 bytes long.
Data: < LN > D0 4C 4E AE 1C 02 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x0000021CAE4E4CD0, 40 bytes long.
Data: <0 M ` N > 30 EB 4D AE 1C 02 00 00 60 05 4E AE 1C 02 00 00
{70} normal block at 0x0000021CAE4DF120, 16 bytes long.
Data: < > 80 EA B5 B4 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000021CAE4DF1C0, 16 bytes long.
Data: <@ > 40 E9 B5 B4 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000021CAE4DE810, 16 bytes long.
Data: < W > F8 57 B2 B4 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000021CAE4DEEA0, 16 bytes long.
Data: < W > D8 57 B2 B4 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000021CAE4DF620, 16 bytes long.
Data: <P > 50 04 B2 B4 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000021CAE4DEFE0, 16 bytes long.
Data: <0 > 30 04 B2 B4 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000021CAE4DF670, 16 bytes long.
Data: < > E0 02 B2 B4 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000021CAE4DF3A0, 16 bytes long.
Data: < > 10 04 B2 B4 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000021CAE4DEB80, 16 bytes long.
Data: <p > 70 04 B2 B4 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000021CAE4DF350, 16 bytes long.
Data: < > 18 C0 B0 B4 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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