Task 38698137
| Name | test_791-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND8434_0 |
| Workunit | 31638669 |
| Created | 2 Nov 2026, 4:13:44 UTC |
| Sent | 2 Nov 2026, 4:13:45 UTC |
| Report deadline | 7 Nov 2026, 4:13:45 UTC |
| Received | 2 Nov 2026, 14:37:39 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 617107 |
| Run time | 5 hours 56 min 41 sec |
| CPU time | 4 hours 20 min 59 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 12,352.20 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 843.39 MB |
| Peak swap size | 8.41 GB |
| Peak disk usage | 3.91 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
23:18:35 (24596): wrapper (7.9.26016): starting
23:18:35 (24596): 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
23:18:37 (24596): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:18:37 (24596): 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\15\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\15\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) : {3835399} normal block at 0x000001ADFB89FB30, 8 bytes long.
Data: < > 00 00 83 FB AD 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833958} normal block at 0x000001ADFB97E610, 1080 bytes long.
Data: < h > CC 68 00 00 CD CD CD CD F4 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001ADFB8961D0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
05:00:01 (25364): wrapper (7.9.26016): starting
05:00:01 (25364): 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\15\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
09:36:54 (25364): C:/Windows/system32/cmd.exe exited; CPU time 12316.000000
09:36:54 (25364): 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: 303121291 bytes.
Dumping objects ->
{1833} normal block at 0x0000020827FD4790, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1822} normal block at 0x0000020827FD46B0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1811} normal block at 0x0000020827FD49C0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1800} normal block at 0x0000020827FD4C60, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1789} normal block at 0x0000020827FD4AA0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1758} normal block at 0x0000020827FC9E90, 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) : {1745} normal block at 0x0000020827FD5D60, 8 bytes long.
Data: < Y( > 00 00 59 28 08 02 00 00
{305} normal block at 0x0000020827FD6030, 8 bytes long.
Data: <Pe ' > 50 65 FD 27 08 02 00 00
{296} normal block at 0x0000020827FC6F20, 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 0x0000020827FD6350, 16 bytes long.
Data: <HT ' > 48 54 FD 27 08 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000020827FD60D0, 16 bytes long.
Data: < T ' > 20 54 FD 27 08 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000020827FD1420, 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 0x0000020827FD63F0, 16 bytes long.
Data: < S ' > F8 53 FD 27 08 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000020827FD5810, 16 bytes long.
Data: < S ' > D0 53 FD 27 08 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000020827FD55E0, 16 bytes long.
Data: < S ' > A8 53 FD 27 08 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000020827FD59F0, 16 bytes long.
Data: < S ' > 80 53 FD 27 08 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000020827FD4870, 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 0x0000020827FD5FE0, 16 bytes long.
Data: <( ' > 28 F5 FC 27 08 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000020827FD0EE0, 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 0x0000020827FD5E50, 16 bytes long.
Data: < ' > 00 F5 FC 27 08 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000020827FD5A40, 16 bytes long.
Data: < ' > D8 F4 FC 27 08 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000020827FD5D10, 16 bytes long.
Data: < ' > B0 F4 FC 27 08 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000020827FD61C0, 16 bytes long.
Data: < ' > 88 F4 FC 27 08 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000020827FD5A90, 16 bytes long.
Data: <` ' > 60 F4 FC 27 08 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000020827FD59A0, 16 bytes long.
Data: <8 ' > 38 F4 FC 27 08 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000020827FD1120, 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 0x0000020827FD5F90, 16 bytes long.
Data: < ' > 10 F4 FC 27 08 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000020827FCF410, 320 bytes long.
Data: < _ ' ' > 90 5F FD 27 08 02 00 00 20 11 FD 27 08 02 00 00
{275} normal block at 0x0000020827FD57C0, 16 bytes long.
Data: <`S ' > 60 53 FD 27 08 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000020827FD6300, 16 bytes long.
Data: <8S ' > 38 53 FD 27 08 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000020827FD0820, 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 0x0000020827FD5F40, 16 bytes long.
Data: < S ' > 10 53 FD 27 08 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000020827FD1240, 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 0x0000020827FD5950, 16 bytes long.
Data: <XR ' > 58 52 FD 27 08 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000020827FD5720, 16 bytes long.
Data: <0R ' > 30 52 FD 27 08 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000020827FD5BD0, 16 bytes long.
Data: < R ' > 08 52 FD 27 08 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000020827FD5630, 16 bytes long.
Data: < Q ' > E0 51 FD 27 08 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000020827FD5DB0, 16 bytes long.
Data: < Q ' > B8 51 FD 27 08 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000020827FCF9A0, 16 bytes long.
Data: < Q ' > 90 51 FD 27 08 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000020827FCF900, 16 bytes long.
Data: < G ' > 20 47 FD 27 08 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000020827FD4720, 40 bytes long.
Data: < ' ' > 00 F9 FC 27 08 02 00 00 90 9E FC 27 08 02 00 00
{261} normal block at 0x0000020827FCF720, 16 bytes long.
Data: <pQ ' > 70 51 FD 27 08 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000020827FCFC20, 16 bytes long.
Data: <HQ ' > 48 51 FD 27 08 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000020827FD0D60, 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 0x0000020827FD0170, 16 bytes long.
Data: < Q ' > 20 51 FD 27 08 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000020827FD5120, 992 bytes long.
Data: <p ' ` ' > 70 01 FD 27 08 02 00 00 60 0D FD 27 08 02 00 00
{93} normal block at 0x0000020827FD0B20, 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 0x0000020827FCFAE0, 16 bytes long.
Data: <@F ' > 40 46 FD 27 08 02 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x0000020827FD4640, 40 bytes long.
Data: < ' ' > E0 FA FC 27 08 02 00 00 20 0B FD 27 08 02 00 00
{70} normal block at 0x0000020827FD04E0, 16 bytes long.
Data: < > 80 EA F7 8F F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000020827FD0260, 16 bytes long.
Data: <@ > 40 E9 F7 8F F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000020827FCFD60, 16 bytes long.
Data: < W > F8 57 F4 8F F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000020827FCF810, 16 bytes long.
Data: < W > D8 57 F4 8F F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000020827FD0120, 16 bytes long.
Data: <P > 50 04 F4 8F F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000020827FD00D0, 16 bytes long.
Data: <0 > 30 04 F4 8F F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000020827FCF860, 16 bytes long.
Data: < > E0 02 F4 8F F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000020827FCF9F0, 16 bytes long.
Data: < > 10 04 F4 8F F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000020827FCFE00, 16 bytes long.
Data: <p > 70 04 F4 8F F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000020827FCFEA0, 16 bytes long.
Data: < > 18 C0 F2 8F F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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