| Name | test_968-GPUGRID_TEST_ATM_40STEP_20261023-37-40-RND8632_0 |
| Workunit | 31630442 |
| Created | 28 Oct 2026, 18:55:07 UTC |
| Sent | 28 Oct 2026, 18:55:12 UTC |
| Report deadline | 2 Nov 2026, 18:55:12 UTC |
| Received | 28 Oct 2026, 23:10:18 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 648153 |
| Run time | 1 hours 3 min 56 sec |
| CPU time | 54 min 46 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 | 698.12 MB |
| Peak swap size | 6.86 GB |
| Peak disk usage | 3.03 GB |
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
15:44:15 (32528): wrapper (7.9.26016): starting
15:44:15 (32528): 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
15:44:19 (32528): Library/usr/bin/tar.exe exited; CPU time 0.062500
15:44:19 (32528): 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) : {3835161} normal block at 0x0000021CF69BC640, 8 bytes long.
Data: < > 00 00 E9 F6 1C 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833976} normal block at 0x0000021CF87A6660, 1080 bytes long.
Data: <L > 4C C8 00 00 CD CD CD CD E4 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {320} normal block at 0x0000021CF69C2DB0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
15:55:53 (14280): wrapper (7.9.26016): starting
15:55:53 (14280): 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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1498} normal block at 0x0000025765757590, 8 bytes long.
Data: < eW > 00 00 CC 65 57 02 00 00
..\lib\diagnostics_win.cpp(417) : {313} normal block at 0x0000025765756C60, 1080 bytes long.
Data: <l L > 6C CC 00 00 CD CD CD CD 4C 01 00 00 00 00 00 00
Object dump complete.
16:02:10 (26796): wrapper (7.9.26016): starting
16:02:10 (26796): 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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1498} normal block at 0x0000024ACADE7590, 8 bytes long.
Data: < 0 J > 00 00 30 CB 4A 02 00 00
..\lib\diagnostics_win.cpp(417) : {313} normal block at 0x0000024ACADE6CB0, 1080 bytes long.
Data: < m D > 18 6D 00 00 CD CD CD CD 44 01 00 00 00 00 00 00
Object dump complete.
16:49:34 (41972): wrapper (7.9.26016): starting
16:49:34 (41972): 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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1498} normal block at 0x0000015B67F075D0, 8 bytes long.
Data: < g[ > 00 00 EB 67 5B 01 00 00
..\lib\diagnostics_win.cpp(417) : {313} normal block at 0x0000015B67F06CB0, 1080 bytes long.
Data: < L > A8 85 00 00 CD CD CD CD 4C 01 00 00 00 00 00 00
Object dump complete.
16:54:21 (53484): wrapper (7.9.26016): starting
16:54:21 (53484): 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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1498} normal block at 0x0000024475247920, 8 bytes long.
Data: < UuD > 00 00 55 75 44 02 00 00
..\lib\diagnostics_win.cpp(417) : {313} normal block at 0x00000244752483A0, 1080 bytes long.
Data: < D > D8 A2 00 00 CD CD CD CD 44 01 00 00 00 00 00 00
Object dump complete.
17:09:55 (15088): wrapper (7.9.26016): starting
17:09:55 (15088): 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
18:09:54 (15088): C:/Windows/system32/cmd.exe exited; CPU time 3278.046875
18:09:54 (15088): 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: 101194918 bytes.
Dumping objects ->
{1586} normal block at 0x000001DB355A5450, 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 0x000001DB355A5A00, 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 0x000001DB355A5920, 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 0x000001DB355A5680, 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 0x000001DB355A57D0, 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 0x000001DB355912A0, 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 0x000001DB355A7510, 8 bytes long.
Data: < 5 > 00 00 A7 35 DB 01 00 00
{314} normal block at 0x000001DB355A7F10, 8 bytes long.
Data: < Z5 > A0 83 5A 35 DB 01 00 00
{305} normal block at 0x000001DB3558F930, 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 0x000001DB355A7470, 16 bytes long.
Data: < Z5 > A8 82 5A 35 DB 01 00 00 00 00 00 00 00 00 00 00
{303} normal block at 0x000001DB355A71F0, 16 bytes long.
Data: < Z5 > 80 82 5A 35 DB 01 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x000001DB3559FA70, 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 0x000001DB355A7420, 16 bytes long.
Data: <X Z5 > 58 82 5A 35 DB 01 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000001DB355A7E70, 16 bytes long.
Data: <0 Z5 > 30 82 5A 35 DB 01 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000001DB355A7EC0, 16 bytes long.
Data: < Z5 > 08 82 5A 35 DB 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001DB355A73D0, 16 bytes long.
Data: < Z5 > E0 81 5A 35 DB 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001DB355A5370, 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 0x000001DB355A78D0, 16 bytes long.
Data: <H Y5 > 48 A5 59 35 DB 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001DB3559FFB0, 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 0x000001DB355A74C0, 16 bytes long.
Data: < Y5 > 20 A5 59 35 DB 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001DB355A7740, 16 bytes long.
Data: < Y5 > F8 A4 59 35 DB 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001DB355A7380, 16 bytes long.
Data: < Y5 > D0 A4 59 35 DB 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001DB355A6FC0, 16 bytes long.
Data: < Y5 > A8 A4 59 35 DB 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001DB355A71A0, 16 bytes long.
Data: < Y5 > 80 A4 59 35 DB 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001DB355A7920, 16 bytes long.
Data: <X Y5 > 58 A4 59 35 DB 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001DB3559FBF0, 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 0x000001DB355A7330, 16 bytes long.
Data: <0 Y5 > 30 A4 59 35 DB 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001DB3559A430, 320 bytes long.
Data: <0sZ5 Y5 > 30 73 5A 35 DB 01 00 00 F0 FB 59 35 DB 01 00 00
{284} normal block at 0x000001DB355A7E20, 16 bytes long.
Data: < Z5 > C0 81 5A 35 DB 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001DB355A7150, 16 bytes long.
Data: < Z5 > 98 81 5A 35 DB 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001DB3559F710, 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 0x000001DB355A7100, 16 bytes long.
Data: <p Z5 > 70 81 5A 35 DB 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001DB3559F6B0, 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 0x000001DB355A7560, 16 bytes long.
Data: < Z5 > B8 80 5A 35 DB 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001DB355A76F0, 16 bytes long.
Data: < Z5 > 90 80 5A 35 DB 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001DB355A7B00, 16 bytes long.
Data: <h Z5 > 68 80 5A 35 DB 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001DB355A7830, 16 bytes long.
Data: <@ Z5 > 40 80 5A 35 DB 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001DB355A7240, 16 bytes long.
Data: < Z5 > 18 80 5A 35 DB 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001DB355A7880, 16 bytes long.
Data: < Z5 > F0 7F 5A 35 DB 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001DB355A7C90, 16 bytes long.
Data: < UZ5 > A0 55 5A 35 DB 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001DB355A55A0, 40 bytes long.
Data: < |Z5 Y5 > 90 7C 5A 35 DB 01 00 00 A0 12 59 35 DB 01 00 00
{270} normal block at 0x000001DB355A7DD0, 16 bytes long.
Data: < Z5 > D0 7F 5A 35 DB 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001DB355A76A0, 16 bytes long.
Data: < Z5 > A8 7F 5A 35 DB 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001DB3559F890, 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 0x000001DB355A7AB0, 16 bytes long.
Data: < Z5 > 80 7F 5A 35 DB 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001DB355A7F80, 992 bytes long.
Data: < zZ5 Y5 > B0 7A 5A 35 DB 01 00 00 90 F8 59 35 DB 01 00 00
{102} normal block at 0x000001DB3559FB30, 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 0x000001DB3559B910, 16 bytes long.
Data: < VZ5 > 10 56 5A 35 DB 01 00 00 00 00 00 00 00 00 00 00
{100} normal block at 0x000001DB355A5610, 40 bytes long.
Data: < Y5 0 Y5 > 10 B9 59 35 DB 01 00 00 30 FB 59 35 DB 01 00 00
{79} normal block at 0x000001DB3559C2C0, 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 0x000001DB3559C0E0, 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 0x000001DB3559C400, 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 0x000001DB3559C1D0, 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 0x000001DB3559B690, 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 0x000001DB3559BC30, 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 0x000001DB3559BA00, 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 0x000001DB3559C450, 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 0x000001DB3559C5E0, 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 0x000001DB3559C220, 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