Task 38667981
| Name | test_335-GPUGRID_TEST_ATM_40STEP_20261023-13-40-RND6036_0 |
| Workunit | 31610549 |
| Created | 25 Oct 2026, 10:11:42 UTC |
| Sent | 25 Oct 2026, 10:11:44 UTC |
| Report deadline | 30 Oct 2026, 10:11:44 UTC |
| Received | 26 Oct 2026, 0:22:17 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 642945 |
| Run time | 39 min 2 sec |
| CPU time | 39 min 2 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 12,848.68 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 677.76 MB |
| Peak swap size | 5.35 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:09:27 (27112): wrapper (7.9.26016): starting
08:09:27 (27112): 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
08:09:28 (27112): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:09:28 (27112): 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\9\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\9\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) : {3835275} normal block at 0x000001C6507EE790, 8 bytes long.
Data: < |P > 00 00 7C 50 C6 01 00 00
..\lib\diagnostics_win.cpp(417) : {3834072} normal block at 0x000001C6507DDDA0, 1080 bytes long.
Data: < > B4 8C 00 00 CD CD CD CD 1C 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000001C6507F1D00, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
08:19:56 (45236): wrapper (7.9.26016): starting
08:19:56 (45236): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
ƒTƒuƒfƒBƒŒƒNƒgƒŠ‚Ü‚½‚̓tƒ@ƒCƒ‹ C:\ProgramData\BOINC\slots\9\tmp ‚ÍŠù‚É‘¶Ý‚µ‚Ü‚·B
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1512} normal block at 0x000001C90D7269B0, 8 bytes long.
Data: < > 00 00 BF 0D C9 01 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x000001C90D725A20, 1080 bytes long.
Data: <h P > 68 16 00 00 CD CD CD CD 50 01 00 00 00 00 00 00
Object dump complete.
08:50:30 (60832): wrapper (7.9.26016): starting
08:50:30 (60832): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
ƒTƒuƒfƒBƒŒƒNƒgƒŠ‚Ü‚½‚̓tƒ@ƒCƒ‹ C:\ProgramData\BOINC\slots\9\tmp ‚ÍŠù‚É‘¶Ý‚µ‚Ü‚·B
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
09:21:29 (60832): C:/Windows/system32/cmd.exe exited; CPU time 1757.031250
09:21:29 (60832): 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: 47864606 bytes.
Dumping objects ->
{1600} normal block at 0x000002081D645970, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1589} normal block at 0x000002081D6455F0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1578} normal block at 0x000002081D645900, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1567} normal block at 0x000002081D645BA0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1556} normal block at 0x000002081D6454A0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1525} normal block at 0x000002081D63A680, 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) : {1512} normal block at 0x000002081D647920, 8 bytes long.
Data: < > 00 00 B7 1D 08 02 00 00
{310} normal block at 0x000002081D6478D0, 8 bytes long.
Data: < d > D0 80 64 1D 08 02 00 00
{301} normal block at 0x000002081D637BB0, 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 0x000002081D6476F0, 16 bytes long.
Data: < d > D8 7F 64 1D 08 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000002081D6474C0, 16 bytes long.
Data: < d > B0 7F 64 1D 08 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000002081D640B70, 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 0x000002081D647420, 16 bytes long.
Data: < d > 88 7F 64 1D 08 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000002081D647BA0, 16 bytes long.
Data: <` d > 60 7F 64 1D 08 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000002081D647830, 16 bytes long.
Data: <8 d > 38 7F 64 1D 08 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002081D647B50, 16 bytes long.
Data: < d > 10 7F 64 1D 08 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002081D645890, 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 0x000002081D647B00, 16 bytes long.
Data: <h b > 68 EC 62 1D 08 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002081D6410B0, 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 0x000002081D647880, 16 bytes long.
Data: <@ b > 40 EC 62 1D 08 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002081D646D90, 16 bytes long.
Data: < b > 18 EC 62 1D 08 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002081D6477E0, 16 bytes long.
Data: < b > F0 EB 62 1D 08 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002081D647790, 16 bytes long.
Data: < b > C8 EB 62 1D 08 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002081D647AB0, 16 bytes long.
Data: < b > A0 EB 62 1D 08 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002081D6473D0, 16 bytes long.
Data: <x b > 78 EB 62 1D 08 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002081D640B10, 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 0x000002081D647560, 16 bytes long.
Data: <P b > 50 EB 62 1D 08 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002081D62EB50, 320 bytes long.
Data: <`ud d > 60 75 64 1D 08 02 00 00 10 0B 64 1D 08 02 00 00
{280} normal block at 0x000002081D646E30, 16 bytes long.
Data: < ~d > F0 7E 64 1D 08 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002081D6470B0, 16 bytes long.
Data: < ~d > C8 7E 64 1D 08 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002081D640630, 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 0x000002081D647010, 16 bytes long.
Data: < ~d > A0 7E 64 1D 08 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002081D640AB0, 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 0x000002081D647970, 16 bytes long.
Data: < }d > E8 7D 64 1D 08 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002081D647060, 16 bytes long.
Data: < }d > C0 7D 64 1D 08 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002081D647330, 16 bytes long.
Data: < }d > 98 7D 64 1D 08 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002081D6475B0, 16 bytes long.
Data: <p}d > 70 7D 64 1D 08 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002081D6471F0, 16 bytes long.
Data: <H}d > 48 7D 64 1D 08 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002081D647380, 16 bytes long.
Data: < }d > 20 7D 64 1D 08 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002081D647A60, 16 bytes long.
Data: < Wd > B0 57 64 1D 08 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002081D6457B0, 40 bytes long.
Data: <`zd c > 60 7A 64 1D 08 02 00 00 80 A6 63 1D 08 02 00 00
{266} normal block at 0x000002081D647290, 16 bytes long.
Data: < }d > 00 7D 64 1D 08 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002081D647240, 16 bytes long.
Data: < |d > D8 7C 64 1D 08 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002081D6411D0, 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 0x000002081D647650, 16 bytes long.
Data: < |d > B0 7C 64 1D 08 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002081D647CB0, 992 bytes long.
Data: <Pvd d > 50 76 64 1D 08 02 00 00 D0 11 64 1D 08 02 00 00
{98} normal block at 0x000002081D640DB0, 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 0x000002081D63ECE0, 16 bytes long.
Data: < Vd > D0 56 64 1D 08 02 00 00 00 00 00 00 00 00 00 00
{96} normal block at 0x000002081D6456D0, 40 bytes long.
Data: < c d > E0 EC 63 1D 08 02 00 00 B0 0D 64 1D 08 02 00 00
{73} normal block at 0x000002081D63F2D0, 16 bytes long.
Data: < > 80 EA C6 BF F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000002081D63EE70, 16 bytes long.
Data: <@ > 40 E9 C6 BF F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000002081D63F140, 16 bytes long.
Data: < W > F8 57 C3 BF F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000002081D63EE20, 16 bytes long.
Data: < W > D8 57 C3 BF F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002081D63F550, 16 bytes long.
Data: <P > 50 04 C3 BF F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002081D63EFB0, 16 bytes long.
Data: <0 > 30 04 C3 BF F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002081D63F5F0, 16 bytes long.
Data: < > E0 02 C3 BF F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002081D63F000, 16 bytes long.
Data: < > 10 04 C3 BF F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002081D63E7E0, 16 bytes long.
Data: <p > 70 04 C3 BF F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002081D63EF10, 16 bytes long.
Data: < > 18 C0 C1 BF F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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