Task 38675222
| Name | test_112-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND1505_0 |
| Workunit | 31617206 |
| Created | 26 Oct 2026, 7:39:19 UTC |
| Sent | 26 Oct 2026, 7:39:19 UTC |
| Report deadline | 31 Oct 2026, 7:39:19 UTC |
| Received | 26 Oct 2026, 8:24:42 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 651810 |
| Run time | 16 min 48 sec |
| CPU time | 16 min 43 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 31,239.72 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 753.31 MB |
| Peak swap size | 12.97 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:42:04 (6148): wrapper (7.9.26016): starting
08:42:04 (6148): 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
08:42:05 (6148): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:42:05 (6148): 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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835159} normal block at 0x000001929170DE60, 8 bytes long.
Data: < k > 00 00 6B 91 92 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833964} normal block at 0x0000019293524960, 1080 bytes long.
Data: <<\ > 3C 5C 00 00 CD CD CD CD C4 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x0000019291712270, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
08:54:21 (24100): wrapper (7.9.26016): starting
08:54:21 (24100): 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) : {1502} normal block at 0x000001ADC0A16E80, 8 bytes long.
Data: < > 00 00 F7 C0 AD 01 00 00
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x000001ADC0A173B0, 1080 bytes long.
Data: <<^ D > 3C 5E 00 00 CD CD CD CD 44 01 00 00 00 00 00 00
Object dump complete.
09:08:18 (24564): wrapper (7.9.26016): starting
09:08:18 (24564): 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
09:24:21 (24564): C:/Windows/system32/cmd.exe exited; CPU time 970.203125
09:24:21 (24564): 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: 16513936 bytes.
Dumping objects ->
{1590} normal block at 0x0000015A4F0B8600, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1579} normal block at 0x0000015A4F0B8360, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1568} normal block at 0x0000015A4F0B87C0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1557} normal block at 0x0000015A4F0B8280, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1546} normal block at 0x0000015A4F0B8670, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1515} normal block at 0x0000015A4F09C970, 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) : {1502} normal block at 0x0000015A4F0B8DF0, 8 bytes long.
Data: < `OZ > 00 00 60 4F 5A 01 00 00
{308} normal block at 0x0000015A4F0B97A0, 8 bytes long.
Data: < z OZ > D0 7A 0B 4F 5A 01 00 00
{299} normal block at 0x0000015A4F0A0110, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{298} normal block at 0x0000015A4F0B8E40, 16 bytes long.
Data: < OZ > E8 9F 0B 4F 5A 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000015A4F0B9430, 16 bytes long.
Data: < OZ > C0 9F 0B 4F 5A 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000015A4F0AE8A0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{295} normal block at 0x0000015A4F0B9700, 16 bytes long.
Data: < OZ > 98 9F 0B 4F 5A 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000015A4F0B93E0, 16 bytes long.
Data: <p OZ > 70 9F 0B 4F 5A 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000015A4F0B91B0, 16 bytes long.
Data: <H OZ > 48 9F 0B 4F 5A 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000015A4F0B9570, 16 bytes long.
Data: < OZ > 20 9F 0B 4F 5A 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000015A4F0B8520, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{290} normal block at 0x0000015A4F0B9390, 16 bytes long.
Data: < OZ > 08 8A 0B 4F 5A 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000015A4F0AE840, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{288} normal block at 0x0000015A4F0B9160, 16 bytes long.
Data: < OZ > E0 89 0B 4F 5A 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000015A4F0B9A70, 16 bytes long.
Data: < OZ > B8 89 0B 4F 5A 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000015A4F0B90C0, 16 bytes long.
Data: < OZ > 90 89 0B 4F 5A 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000015A4F0B9750, 16 bytes long.
Data: <h OZ > 68 89 0B 4F 5A 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000015A4F0B8F30, 16 bytes long.
Data: <@ OZ > 40 89 0B 4F 5A 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000015A4F0B9AC0, 16 bytes long.
Data: < OZ > 18 89 0B 4F 5A 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000015A4F0AEF00, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{280} normal block at 0x0000015A4F0B8D50, 16 bytes long.
Data: < OZ > F0 88 0B 4F 5A 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000015A4F0B88F0, 320 bytes long.
Data: <P OZ OZ > 50 8D 0B 4F 5A 01 00 00 00 EF 0A 4F 5A 01 00 00
{278} normal block at 0x0000015A4F0B9250, 16 bytes long.
Data: < OZ > 00 9F 0B 4F 5A 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000015A4F0B9110, 16 bytes long.
Data: < OZ > D8 9E 0B 4F 5A 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000015A4F0AE3C0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{275} normal block at 0x0000015A4F0B9020, 16 bytes long.
Data: < OZ > B0 9E 0B 4F 5A 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000015A4F0AE4E0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{273} normal block at 0x0000015A4F0B8EE0, 16 bytes long.
Data: < OZ > F8 9D 0B 4F 5A 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000015A4F0B8FD0, 16 bytes long.
Data: < OZ > D0 9D 0B 4F 5A 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000015A4F0B92F0, 16 bytes long.
Data: < OZ > A8 9D 0B 4F 5A 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000015A4F0B9B10, 16 bytes long.
Data: < OZ > 80 9D 0B 4F 5A 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000015A4F0B9200, 16 bytes long.
Data: <X OZ > 58 9D 0B 4F 5A 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000015A4F0B9840, 16 bytes long.
Data: <0 OZ > 30 9D 0B 4F 5A 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000015A4F0B9C50, 16 bytes long.
Data: < OZ > 90 85 0B 4F 5A 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000015A4F0B8590, 40 bytes long.
Data: <P OZ p OZ > 50 9C 0B 4F 5A 01 00 00 70 C9 09 4F 5A 01 00 00
{264} normal block at 0x0000015A4F0B9340, 16 bytes long.
Data: < OZ > 10 9D 0B 4F 5A 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000015A4F0B9520, 16 bytes long.
Data: < OZ > E8 9C 0B 4F 5A 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000015A4F0AE720, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{261} normal block at 0x0000015A4F0B8D00, 16 bytes long.
Data: < OZ > C0 9C 0B 4F 5A 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000015A4F0B9CC0, 992 bytes long.
Data: < OZ OZ > 00 8D 0B 4F 5A 01 00 00 20 E7 0A 4F 5A 01 00 00
{96} normal block at 0x0000015A4F0AEC00, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{95} normal block at 0x0000015A4F0B1080, 16 bytes long.
Data: < OZ > 00 C9 09 4F 5A 01 00 00 00 00 00 00 00 00 00 00
{94} normal block at 0x0000015A4F09C900, 40 bytes long.
Data: < OZ OZ > 80 10 0B 4F 5A 01 00 00 00 EC 0A 4F 5A 01 00 00
{73} normal block at 0x0000015A4F0B04F0, 16 bytes long.
Data: < > 80 EA FF 90 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000015A4F0B07C0, 16 bytes long.
Data: <@ > 40 E9 FF 90 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000015A4F0B0BD0, 16 bytes long.
Data: < W > F8 57 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000015A4F0B0450, 16 bytes long.
Data: < W > D8 57 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000015A4F0B0720, 16 bytes long.
Data: <P > 50 04 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000015A4F0B11C0, 16 bytes long.
Data: <0 > 30 04 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000015A4F0B0EA0, 16 bytes long.
Data: < > E0 02 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000015A4F0B0E50, 16 bytes long.
Data: < > 10 04 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000015A4F0B06D0, 16 bytes long.
Data: <p > 70 04 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000015A4F0B0D10, 16 bytes long.
Data: < > 18 C0 FA 90 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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