Task 38677258
| Name | test_819-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND9153_0 |
| Workunit | 31619138 |
| Created | 26 Oct 2026, 13:46:07 UTC |
| Sent | 26 Oct 2026, 13:46:16 UTC |
| Report deadline | 31 Oct 2026, 13:46:16 UTC |
| Received | 26 Oct 2026, 16:33:33 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 648153 |
| Run time | 59 min 11 sec |
| CPU time | 52 min 31 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 12,741.16 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 690.15 MB |
| Peak swap size | 6.85 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
08:53:07 (49652): wrapper (7.9.26016): starting
08:53:07 (49652): 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
08:53:18 (49652): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:53:18 (49652): 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\17\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\17\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) : {3835161} normal block at 0x000001E483D9B690, 8 bytes long.
Data: < " > 00 00 22 84 E4 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833976} normal block at 0x000001E483D8E890, 1080 bytes long.
Data: < 6 > B0 36 00 00 CD CD CD CD D0 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {320} normal block at 0x000001E483DA2240, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
09:48:02 (35716): wrapper (7.9.26016): starting
09:48:02 (35716): 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\17\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1498} normal block at 0x000002D9071F7DB0, 8 bytes long.
Data: < m > 00 00 6D 07 D9 02 00 00
..\lib\diagnostics_win.cpp(417) : {313} normal block at 0x000002D9071F6CB0, 1080 bytes long.
Data: < + L > B0 2B 00 00 CD CD CD CD 4C 01 00 00 00 00 00 00
Object dump complete.
10:08:22 (53208): wrapper (7.9.26016): starting
10:08:22 (53208): 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\17\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1498} normal block at 0x000001D3188F8400, 8 bytes long.
Data: < > 00 00 F6 18 D3 01 00 00
..\lib\diagnostics_win.cpp(417) : {313} normal block at 0x000001D3188F9790, 1080 bytes long.
Data: <d X > 64 BA 00 00 CD CD CD CD 58 01 00 00 00 00 00 00
Object dump complete.
10:14:31 (32152): wrapper (7.9.26016): starting
10:14:31 (32152): 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\17\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1498} normal block at 0x000001FF6C3776A0, 8 bytes long.
Data: < m > 00 00 DD 6D FF 01 00 00
..\lib\diagnostics_win.cpp(417) : {313} normal block at 0x000001FF6C3783A0, 1080 bytes long.
Data: < D > 90 8B 00 00 CD CD CD CD 44 01 00 00 00 00 00 00
Object dump complete.
10:24:01 (8220): wrapper (7.9.26016): starting
10:24:01 (8220): 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\17\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1498} normal block at 0x000001B9FE0E70B0, 8 bytes long.
Data: < ] > 00 00 5D FE B9 01 00 00
..\lib\diagnostics_win.cpp(417) : {313} normal block at 0x000001B9FE0E6A50, 1080 bytes long.
Data: < z L > 04 7A 00 00 CD CD CD CD 4C 01 00 00 00 00 00 00
Object dump complete.
10:56:54 (54776): wrapper (7.9.26016): starting
10:56:54 (54776): 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\17\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
11:33:09 (54776): C:/Windows/system32/cmd.exe exited; CPU time 1963.000000
11:33:09 (54776): 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: 59387825 bytes.
Dumping objects ->
{1586} normal block at 0x0000018CE05555E0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1575} normal block at 0x0000018CE05556C0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1564} normal block at 0x0000018CE0555A40, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1553} normal block at 0x0000018CE0555880, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1542} normal block at 0x0000018CE0555B20, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1511} normal block at 0x0000018CE0540440, 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) : {1498} normal block at 0x0000018CE0557770, 8 bytes long.
Data: < > 00 00 9E E0 8C 01 00 00
{314} normal block at 0x0000018CE0558260, 8 bytes long.
Data: < lU > B0 6C 55 E0 8C 01 00 00
{305} normal block at 0x0000018CE0547840, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{304} normal block at 0x0000018CE05578B0, 16 bytes long.
Data: < U > F8 85 55 E0 8C 01 00 00 00 00 00 00 00 00 00 00
{303} normal block at 0x0000018CE0557860, 16 bytes long.
Data: < U > D0 85 55 E0 8C 01 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x0000018CE05501A0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{301} normal block at 0x0000018CE05574F0, 16 bytes long.
Data: < U > A8 85 55 E0 8C 01 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x0000018CE0557C70, 16 bytes long.
Data: < U > 80 85 55 E0 8C 01 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x0000018CE0557E00, 16 bytes long.
Data: <X U > 58 85 55 E0 8C 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000018CE0557FE0, 16 bytes long.
Data: <0 U > 30 85 55 E0 8C 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000018CE0555810, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{296} normal block at 0x0000018CE0557400, 16 bytes long.
Data: < T > 88 A7 54 E0 8C 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000018CE0550C80, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{294} normal block at 0x0000018CE05575E0, 16 bytes long.
Data: <` T > 60 A7 54 E0 8C 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000018CE0557C20, 16 bytes long.
Data: <8 T > 38 A7 54 E0 8C 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000018CE0557DB0, 16 bytes long.
Data: < T > 10 A7 54 E0 8C 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000018CE0558210, 16 bytes long.
Data: < T > E8 A6 54 E0 8C 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000018CE0557F40, 16 bytes long.
Data: < T > C0 A6 54 E0 8C 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000018CE0557630, 16 bytes long.
Data: < T > 98 A6 54 E0 8C 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000018CE0550140, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{286} normal block at 0x0000018CE0557D10, 16 bytes long.
Data: <p T > 70 A6 54 E0 8C 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000018CE054A670, 320 bytes long.
Data: < }U @ U > 10 7D 55 E0 8C 01 00 00 40 01 55 E0 8C 01 00 00
{284} normal block at 0x0000018CE05581C0, 16 bytes long.
Data: < U > 10 85 55 E0 8C 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000018CE0558170, 16 bytes long.
Data: < U > E8 84 55 E0 8C 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000018CE05507A0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{281} normal block at 0x0000018CE0557AE0, 16 bytes long.
Data: < U > C0 84 55 E0 8C 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000018CE0550A40, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{279} normal block at 0x0000018CE0557BD0, 16 bytes long.
Data: < U > 08 84 55 E0 8C 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000018CE0557F90, 16 bytes long.
Data: < U > E0 83 55 E0 8C 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000018CE0557EA0, 16 bytes long.
Data: < U > B8 83 55 E0 8C 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000018CE0557450, 16 bytes long.
Data: < U > 90 83 55 E0 8C 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000018CE0558120, 16 bytes long.
Data: <h U > 68 83 55 E0 8C 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000018CE05573B0, 16 bytes long.
Data: <@ U > 40 83 55 E0 8C 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000018CE05577C0, 16 bytes long.
Data: <PVU > 50 56 55 E0 8C 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000018CE0555650, 40 bytes long.
Data: < wU @ T > C0 77 55 E0 8C 01 00 00 40 04 54 E0 8C 01 00 00
{270} normal block at 0x0000018CE05580D0, 16 bytes long.
Data: < U > 20 83 55 E0 8C 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000018CE0558080, 16 bytes long.
Data: < U > F8 82 55 E0 8C 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000018CE0550C20, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{267} normal block at 0x0000018CE0557B80, 16 bytes long.
Data: < U > D0 82 55 E0 8C 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000018CE05582D0, 992 bytes long.
Data: < {U U > 80 7B 55 E0 8C 01 00 00 20 0C 55 E0 8C 01 00 00
{102} normal block at 0x0000018CE0550500, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{101} normal block at 0x0000018CE054C780, 16 bytes long.
Data: < [U > 90 5B 55 E0 8C 01 00 00 00 00 00 00 00 00 00 00
{100} normal block at 0x0000018CE0555B90, 40 bytes long.
Data: < T U > 80 C7 54 E0 8C 01 00 00 00 05 55 E0 8C 01 00 00
{79} normal block at 0x0000018CE054B9C0, 16 bytes long.
Data: < M > 80 EA 82 4D F6 7F 00 00 00 00 00 00 00 00 00 00
{78} normal block at 0x0000018CE054BAB0, 16 bytes long.
Data: <@ M > 40 E9 82 4D F6 7F 00 00 00 00 00 00 00 00 00 00
{77} normal block at 0x0000018CE054C6E0, 16 bytes long.
Data: < W M > F8 57 7F 4D F6 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x0000018CE054BE70, 16 bytes long.
Data: < W M > D8 57 7F 4D F6 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x0000018CE054BEC0, 16 bytes long.
Data: <P M > 50 04 7F 4D F6 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x0000018CE054BA60, 16 bytes long.
Data: <0 M > 30 04 7F 4D F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x0000018CE054BE20, 16 bytes long.
Data: < M > E0 02 7F 4D F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000018CE054C640, 16 bytes long.
Data: < M > 10 04 7F 4D F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000018CE054C140, 16 bytes long.
Data: <p M > 70 04 7F 4D F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000018CE054BA10, 16 bytes long.
Data: < }M > 18 C0 7D 4D F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra