Task 38683586
| Name | test_810-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND7623_0 |
| Workunit | 31625140 |
| Created | 27 Oct 2026, 12:26:10 UTC |
| Sent | 27 Oct 2026, 12:26:17 UTC |
| Report deadline | 1 Nov 2026, 12:26:17 UTC |
| Received | 27 Oct 2026, 19:38:42 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 623034 |
| Run time | 21 min 8 sec |
| CPU time | 20 min 22 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 44,609.07 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 725.04 MB |
| Peak swap size | 9.97 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
10:01:30 (34388): wrapper (7.9.26016): starting
10:01:30 (34388): 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
10:01:32 (34388): Library/usr/bin/tar.exe exited; CPU time 0.031250
10:01:32 (34388): 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\24\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\24\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) : {3835117} normal block at 0x0000010C6BA40410, 8 bytes long.
Data: < k > 00 00 F3 6B 0C 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833968} normal block at 0x0000010C6D75D840, 1080 bytes long.
Data: < X > 04 1A 00 00 CD CD CD CD 58 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000010C6BA40DE0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
11:35:27 (6616): wrapper (7.9.26016): starting
11:35:27 (6616): 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\24\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1458} normal block at 0x0000024B38286120, 8 bytes long.
Data: < $8K > 00 00 24 38 4B 02 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x0000024B38286790, 1080 bytes long.
Data: < D > 98 90 00 00 CD CD CD CD 44 01 00 00 00 00 00 00
Object dump complete.
13:36:21 (36016): wrapper (7.9.26016): starting
13:36:21 (36016): 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\24\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1458} normal block at 0x0000025B1ED759E0, 8 bytes long.
Data: < # [ > 00 00 23 1F 5B 02 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x0000025B1ED765A0, 1080 bytes long.
Data: < ~ D > A4 7E 00 00 CD CD CD CD 44 01 00 00 00 00 00 00
Object dump complete.
14:25:40 (38440): wrapper (7.9.26016): starting
14:25:40 (38440): 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\24\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
14:38:20 (38440): C:/Windows/system32/cmd.exe exited; CPU time 710.968750
14:38:20 (38440): 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: 16008039 bytes.
Dumping objects ->
{1546} normal block at 0x0000024A8A3449A0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1535} normal block at 0x0000024A8A344700, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1524} normal block at 0x0000024A8A3448C0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1513} normal block at 0x0000024A8A344690, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1502} normal block at 0x0000024A8A344930, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1471} normal block at 0x0000024A8A3302D0, 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) : {1458} normal block at 0x0000024A8A3453F0, 8 bytes long.
Data: < J > 00 00 8A 8A 4A 02 00 00
{310} normal block at 0x0000024A8A3453A0, 8 bytes long.
Data: < e4 J > A0 65 34 8A 4A 02 00 00
{301} normal block at 0x0000024A8A32EA00, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{300} normal block at 0x0000024A8A345A80, 16 bytes long.
Data: < d4 J > A8 64 34 8A 4A 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x0000024A8A346110, 16 bytes long.
Data: < d4 J > 80 64 34 8A 4A 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000024A8A340160, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{297} normal block at 0x0000024A8A345B70, 16 bytes long.
Data: <Xd4 J > 58 64 34 8A 4A 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000024A8A3460C0, 16 bytes long.
Data: <0d4 J > 30 64 34 8A 4A 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000024A8A3457B0, 16 bytes long.
Data: < d4 J > 08 64 34 8A 4A 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000024A8A345DF0, 16 bytes long.
Data: < c4 J > E0 63 34 8A 4A 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000024A8A344CB0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{292} normal block at 0x0000024A8A345EE0, 16 bytes long.
Data: <( 3 J > 28 E5 33 8A 4A 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000024A8A33FE00, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{290} normal block at 0x0000024A8A345990, 16 bytes long.
Data: < 3 J > 00 E5 33 8A 4A 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000024A8A345DA0, 16 bytes long.
Data: < 3 J > D8 E4 33 8A 4A 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000024A8A345260, 16 bytes long.
Data: < 3 J > B0 E4 33 8A 4A 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000024A8A345F80, 16 bytes long.
Data: < 3 J > 88 E4 33 8A 4A 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000024A8A346070, 16 bytes long.
Data: <` 3 J > 60 E4 33 8A 4A 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000024A8A345F30, 16 bytes long.
Data: <8 3 J > 38 E4 33 8A 4A 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000024A8A33FC80, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{282} normal block at 0x0000024A8A345FD0, 16 bytes long.
Data: < 3 J > 10 E4 33 8A 4A 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000024A8A33E410, 320 bytes long.
Data: < _4 J 3 J > D0 5F 34 8A 4A 02 00 00 80 FC 33 8A 4A 02 00 00
{280} normal block at 0x0000024A8A345CB0, 16 bytes long.
Data: < c4 J > C0 63 34 8A 4A 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000024A8A345300, 16 bytes long.
Data: < c4 J > 98 63 34 8A 4A 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000024A8A340040, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{277} normal block at 0x0000024A8A345D00, 16 bytes long.
Data: <pc4 J > 70 63 34 8A 4A 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000024A8A33FF20, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{275} normal block at 0x0000024A8A345E90, 16 bytes long.
Data: < b4 J > B8 62 34 8A 4A 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000024A8A345D50, 16 bytes long.
Data: < b4 J > 90 62 34 8A 4A 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000024A8A345C60, 16 bytes long.
Data: <hb4 J > 68 62 34 8A 4A 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000024A8A345210, 16 bytes long.
Data: <@b4 J > 40 62 34 8A 4A 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000024A8A3452B0, 16 bytes long.
Data: < b4 J > 18 62 34 8A 4A 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000024A8A345350, 16 bytes long.
Data: < a4 J > F0 61 34 8A 4A 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000024A8A3451C0, 16 bytes long.
Data: < J4 J > F0 4A 34 8A 4A 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000024A8A344AF0, 40 bytes long.
Data: < Q4 J 3 J > C0 51 34 8A 4A 02 00 00 D0 02 33 8A 4A 02 00 00
{266} normal block at 0x0000024A8A345B20, 16 bytes long.
Data: < a4 J > D0 61 34 8A 4A 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000024A8A345E40, 16 bytes long.
Data: < a4 J > A8 61 34 8A 4A 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000024A8A3400A0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{263} normal block at 0x0000024A8A346020, 16 bytes long.
Data: < a4 J > 80 61 34 8A 4A 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000024A8A346180, 992 bytes long.
Data: < `4 J 4 J > 20 60 34 8A 4A 02 00 00 A0 00 34 8A 4A 02 00 00
{98} normal block at 0x0000024A8A33FD40, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{97} normal block at 0x0000024A8A33EFD0, 16 bytes long.
Data: <0 2 J > 30 D4 32 8A 4A 02 00 00 00 00 00 00 00 00 00 00
{96} normal block at 0x0000024A8A32D430, 40 bytes long.
Data: < 3 J @ 3 J > D0 EF 33 8A 4A 02 00 00 40 FD 33 8A 4A 02 00 00
{75} normal block at 0x0000024A8A33F2A0, 16 bytes long.
Data: < $# > 80 EA 24 23 F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x0000024A8A33ED50, 16 bytes long.
Data: <@ $# > 40 E9 24 23 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x0000024A8A33EB20, 16 bytes long.
Data: < W!# > F8 57 21 23 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000024A8A33E6C0, 16 bytes long.
Data: < W!# > D8 57 21 23 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000024A8A33EB70, 16 bytes long.
Data: <P !# > 50 04 21 23 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000024A8A33F4D0, 16 bytes long.
Data: <0 !# > 30 04 21 23 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000024A8A33EC10, 16 bytes long.
Data: < !# > E0 02 21 23 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000024A8A33EF30, 16 bytes long.
Data: < !# > 10 04 21 23 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000024A8A33E8F0, 16 bytes long.
Data: <p !# > 70 04 21 23 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000024A8A33EA80, 16 bytes long.
Data: < # > 18 C0 1F 23 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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