Task 38683444
| Name | test_921-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND6715_0 |
| Workunit | 31625000 |
| Created | 27 Oct 2026, 11:51:10 UTC |
| Sent | 27 Oct 2026, 11:51:15 UTC |
| Report deadline | 1 Nov 2026, 11:51:15 UTC |
| Received | 28 Oct 2026, 15:12:01 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 613730 |
| Run time | 20 min 47 sec |
| CPU time | 19 min 25 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 58,709.55 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 735.49 MB |
| Peak swap size | 10.03 GB |
| Peak disk usage | 3.02 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:52:37 (4308): wrapper (7.9.26016): starting
12:52:37 (4308): 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
12:52:38 (4308): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:52:38 (4308): 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) : {3835632} normal block at 0x000001ED28760D00, 8 bytes long.
Data: < m( > 00 00 6D 28 ED 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833975} normal block at 0x000001ED2A4A6930, 1080 bytes long.
Data: < p > 04 70 00 00 CD CD CD CD D4 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x000001ED2875B580, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
13:22:37 (36808): wrapper (7.9.26016): starting
13:22:37 (36808): 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.
13:26:15 (35128): wrapper (7.9.26016): starting
13:26:15 (35128): 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.
15:56:09 (6880): wrapper (7.9.26016): starting
15:56:09 (6880): 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
16:10:15 (6880): C:/Windows/system32/cmd.exe exited; CPU time 814.296875
16:10:15 (6880): 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: 15324848 bytes.
Dumping objects ->
{2053} normal block at 0x0000023B80673220, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{2042} normal block at 0x0000023B80673060, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{2031} normal block at 0x0000023B80673760, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{2020} normal block at 0x0000023B80673370, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{2009} normal block at 0x0000023B806731B0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1978} normal block at 0x0000023B806624B0, 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) : {1965} normal block at 0x0000023B80678590, 8 bytes long.
Data: < ; > 00 00 BF 80 3B 02 00 00
{309} normal block at 0x0000023B806781D0, 8 bytes long.
Data: < g ; > C0 8A 67 80 3B 02 00 00
{300} normal block at 0x0000023B806657E0, 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 0x0000023B80677E60, 16 bytes long.
Data: < g ; > C8 89 67 80 3B 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000023B80677AF0, 16 bytes long.
Data: < g ; > A0 89 67 80 3B 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000023B80671CA0, 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 0x0000023B80678360, 16 bytes long.
Data: <x g ; > 78 89 67 80 3B 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000023B80677A50, 16 bytes long.
Data: <P g ; > 50 89 67 80 3B 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000023B80677A00, 16 bytes long.
Data: <( g ; > 28 89 67 80 3B 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000023B80677C80, 16 bytes long.
Data: < g ; > 00 89 67 80 3B 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000023B80673300, 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 0x0000023B80677E10, 16 bytes long.
Data: <H$f ; > 48 24 66 80 3B 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000023B80671A60, 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 0x0000023B806784A0, 16 bytes long.
Data: < $f ; > 20 24 66 80 3B 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000023B80677960, 16 bytes long.
Data: < #f ; > F8 23 66 80 3B 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000023B80677AA0, 16 bytes long.
Data: < #f ; > D0 23 66 80 3B 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000023B80678630, 16 bytes long.
Data: < #f ; > A8 23 66 80 3B 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000023B806778C0, 16 bytes long.
Data: < #f ; > 80 23 66 80 3B 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000023B80677870, 16 bytes long.
Data: <X#f ; > 58 23 66 80 3B 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000023B806721E0, 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 0x0000023B806779B0, 16 bytes long.
Data: <0#f ; > 30 23 66 80 3B 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000023B80662330, 320 bytes long.
Data: < yg ; !g ; > B0 79 67 80 3B 02 00 00 E0 21 67 80 3B 02 00 00
{279} normal block at 0x0000023B80678310, 16 bytes long.
Data: < g ; > E0 88 67 80 3B 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000023B80677910, 16 bytes long.
Data: < g ; > B8 88 67 80 3B 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000023B80671880, 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 0x0000023B80678270, 16 bytes long.
Data: < g ; > 90 88 67 80 3B 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000023B80671400, 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 0x0000023B80677820, 16 bytes long.
Data: < g ; > D8 87 67 80 3B 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000023B80677C30, 16 bytes long.
Data: < g ; > B0 87 67 80 3B 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000023B806785E0, 16 bytes long.
Data: < g ; > 88 87 67 80 3B 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000023B80677780, 16 bytes long.
Data: <` g ; > 60 87 67 80 3B 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000023B806784F0, 16 bytes long.
Data: <8 g ; > 38 87 67 80 3B 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000023B806782C0, 16 bytes long.
Data: < g ; > 10 87 67 80 3B 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000023B80677DC0, 16 bytes long.
Data: < 6g ; > F0 36 67 80 3B 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000023B806736F0, 40 bytes long.
Data: < }g ; $f ; > C0 7D 67 80 3B 02 00 00 B0 24 66 80 3B 02 00 00
{265} normal block at 0x0000023B80678540, 16 bytes long.
Data: < g ; > F0 86 67 80 3B 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000023B806780E0, 16 bytes long.
Data: < g ; > C8 86 67 80 3B 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000023B806717C0, 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 0x0000023B806776E0, 16 bytes long.
Data: < g ; > A0 86 67 80 3B 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000023B806786A0, 992 bytes long.
Data: < vg ; g ; > E0 76 67 80 3B 02 00 00 C0 17 67 80 3B 02 00 00
{97} normal block at 0x0000023B806722A0, 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 0x0000023B8066F480, 16 bytes long.
Data: < 6g ; > 80 36 67 80 3B 02 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x0000023B80673680, 40 bytes long.
Data: < f ; "g ; > 80 F4 66 80 3B 02 00 00 A0 22 67 80 3B 02 00 00
{74} normal block at 0x0000023B8066F4D0, 16 bytes long.
Data: < 2 > 80 EA 32 BD F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x0000023B8066FED0, 16 bytes long.
Data: <@ 2 > 40 E9 32 BD F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000023B8066F660, 16 bytes long.
Data: < W/ > F8 57 2F BD F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000023B8066FE80, 16 bytes long.
Data: < W/ > D8 57 2F BD F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000023B8066F980, 16 bytes long.
Data: <P / > 50 04 2F BD F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000023B8066FC00, 16 bytes long.
Data: <0 / > 30 04 2F BD F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000023B8066F890, 16 bytes long.
Data: < / > E0 02 2F BD F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000023B8066F8E0, 16 bytes long.
Data: < / > 10 04 2F BD F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000023B8066FF70, 16 bytes long.
Data: <p / > 70 04 2F BD F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000023B80670290, 16 bytes long.
Data: < - > 18 C0 2D BD F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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