Task 38686363
| Name | test_690-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND0324_0 |
| Workunit | 31627797 |
| Created | 28 Oct 2026, 2:08:39 UTC |
| Sent | 28 Oct 2026, 2:08:41 UTC |
| Report deadline | 2 Nov 2026, 2:08:41 UTC |
| Received | 28 Oct 2026, 14:05:40 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 641248 |
| Run time | 1 hours 32 min 36 sec |
| CPU time | 1 hours 30 min 48 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 6,740.51 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 721.45 MB |
| Peak swap size | 11.40 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
09:46:56 (18904): wrapper (7.9.26016): starting
09:46:56 (18904): 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
09:46:57 (18904): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:46:57 (18904): 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\18\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\18\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) : {3835377} normal block at 0x00000239DE8AEB40, 8 bytes long.
Data: < 9 > 00 00 EE DE 39 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833956} normal block at 0x00000239E0696E00, 1080 bytes long.
Data: < % , > AC 25 00 00 CD CD CD CD 2C 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x00000239DE8AFEE0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
11:05:37 (18676): wrapper (7.9.26016): starting
11:05:37 (18676): 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\18\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1724} normal block at 0x00000244768B5630, 8 bytes long.
Data: < vD > 00 00 CB 76 44 02 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x00000244768B67E0, 1080 bytes long.
Data: < = H > D0 3D 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
11:48:34 (15916): wrapper (7.9.26016): starting
11:48:34 (15916): 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\18\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1724} normal block at 0x00000239D83E7DD0, 8 bytes long.
Data: < 9 > 00 00 9D D8 39 02 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x00000239D83E82B0, 1080 bytes long.
Data: < 5 \ > E8 35 00 00 CD CD CD CD 5C 01 00 00 00 00 00 00
Object dump complete.
13:25:19 (13112): wrapper (7.9.26016): starting
13:25:19 (13112): 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\18\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1724} normal block at 0x00000207D6D95620, 8 bytes long.
Data: < > 00 00 D6 D6 07 02 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x00000207D6D95E70, 1080 bytes long.
Data: < P H > A4 50 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
14:11:19 (20916): wrapper (7.9.26016): starting
14:11:19 (20916): 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\18\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
15:05:23 (20916): C:/Windows/system32/cmd.exe exited; CPU time 3219.203125
15:05:23 (20916): called boinc_finish(0)
0 bytes in 0 Free Blocks.
616 bytes in 8 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: 49617341 bytes.
Dumping objects ->
{1813} normal block at 0x000002A0398052F0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1802} normal block at 0x000002A039804CD0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1791} normal block at 0x000002A039804DB0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1780} normal block at 0x000002A039804C60, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1769} normal block at 0x000002A039804F00, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1738} normal block at 0x000002A0397FE740, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1727} normal block at 0x000002A0397EB650, 180 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
..\api\boinc_api.cpp(309) : {1724} normal block at 0x000002A0398055E0, 8 bytes long.
Data: < {9 > 00 00 7B 39 A0 02 00 00
{1006} normal block at 0x000002A0397EE060, 180 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{304} normal block at 0x000002A0398054A0, 8 bytes long.
Data: < g 9 > E0 67 80 39 A0 02 00 00
{295} normal block at 0x000002A0397F6270, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{294} normal block at 0x000002A039805680, 16 bytes long.
Data: < f 9 > E8 66 80 39 A0 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002A0398054F0, 16 bytes long.
Data: < f 9 > C0 66 80 39 A0 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002A0397FFF00, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{291} normal block at 0x000002A039805F90, 16 bytes long.
Data: < f 9 > 98 66 80 39 A0 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002A039806080, 16 bytes long.
Data: <pf 9 > 70 66 80 39 A0 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002A039805770, 16 bytes long.
Data: <Hf 9 > 48 66 80 39 A0 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002A039806260, 16 bytes long.
Data: < f 9 > 20 66 80 39 A0 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002A039805130, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{286} normal block at 0x000002A039805EF0, 16 bytes long.
Data: < 9 > 98 90 7F 39 A0 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002A0398006E0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{284} normal block at 0x000002A039805E50, 16 bytes long.
Data: <p 9 > 70 90 7F 39 A0 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002A039805EA0, 16 bytes long.
Data: <H 9 > 48 90 7F 39 A0 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002A039805860, 16 bytes long.
Data: < 9 > 20 90 7F 39 A0 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002A039805F40, 16 bytes long.
Data: < 9 > F8 8F 7F 39 A0 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002A039805450, 16 bytes long.
Data: < 9 > D0 8F 7F 39 A0 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002A039805BD0, 16 bytes long.
Data: < 9 > A8 8F 7F 39 A0 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002A0397FF900, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{276} normal block at 0x000002A039805E00, 16 bytes long.
Data: < 9 > 80 8F 7F 39 A0 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002A0397F8F80, 320 bytes long.
Data: < ^ 9 9 > 00 5E 80 39 A0 02 00 00 00 F9 7F 39 A0 02 00 00
{274} normal block at 0x000002A039805540, 16 bytes long.
Data: < f 9 > 00 66 80 39 A0 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002A0398061C0, 16 bytes long.
Data: < e 9 > D8 65 80 39 A0 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002A039800560, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{271} normal block at 0x000002A039806120, 16 bytes long.
Data: < e 9 > B0 65 80 39 A0 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002A0397FFB40, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{269} normal block at 0x000002A0398056D0, 16 bytes long.
Data: < d 9 > F8 64 80 39 A0 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002A0398062B0, 16 bytes long.
Data: < d 9 > D0 64 80 39 A0 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002A039805C20, 16 bytes long.
Data: < d 9 > A8 64 80 39 A0 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002A039806170, 16 bytes long.
Data: < d 9 > 80 64 80 39 A0 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002A039806210, 16 bytes long.
Data: <Xd 9 > 58 64 80 39 A0 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002A039805DB0, 16 bytes long.
Data: <0d 9 > 30 64 80 39 A0 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002A0398057C0, 16 bytes long.
Data: < N 9 > 20 4E 80 39 A0 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002A039804E20, 40 bytes long.
Data: < W 9 @ 9 > C0 57 80 39 A0 02 00 00 40 E7 7F 39 A0 02 00 00
{260} normal block at 0x000002A039805400, 16 bytes long.
Data: < d 9 > 10 64 80 39 A0 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000002A039805D60, 16 bytes long.
Data: < c 9 > E8 63 80 39 A0 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000002A039800620, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{257} normal block at 0x000002A039805720, 16 bytes long.
Data: < c 9 > C0 63 80 39 A0 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000002A0398063C0, 992 bytes long.
Data: < W 9 9 > 20 57 80 39 A0 02 00 00 20 06 80 39 A0 02 00 00
{92} normal block at 0x000002A0397FF9C0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{91} normal block at 0x000002A0397FEFB0, 16 bytes long.
Data: < ~9 > B0 EF 7E 39 A0 02 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x000002A0397EEFB0, 40 bytes long.
Data: < 9 9 > B0 EF 7F 39 A0 02 00 00 C0 F9 7F 39 A0 02 00 00
{69} normal block at 0x000002A0397FE920, 16 bytes long.
Data: < > 80 EA FE 99 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002A0397FEC40, 16 bytes long.
Data: <@ > 40 E9 FE 99 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002A0397FEE70, 16 bytes long.
Data: < W > F8 57 FB 99 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002A0397FF3C0, 16 bytes long.
Data: < W > D8 57 FB 99 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002A0397FEA10, 16 bytes long.
Data: <P > 50 04 FB 99 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002A0397FEC90, 16 bytes long.
Data: <0 > 30 04 FB 99 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002A0397FF280, 16 bytes long.
Data: < > E0 02 FB 99 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002A0397FEBA0, 16 bytes long.
Data: < > 10 04 FB 99 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000002A0397FECE0, 16 bytes long.
Data: <p > 70 04 FB 99 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000002A0397FF370, 16 bytes long.
Data: < > 18 C0 F9 99 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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