Task 38676146
| Name | test_44-GPUGRID_TEST_ATM_40STEP_20261023-15-40-RND9539_0 |
| Workunit | 31618076 |
| Created | 26 Oct 2026, 10:24:45 UTC |
| Sent | 26 Oct 2026, 10:24:47 UTC |
| Report deadline | 31 Oct 2026, 10:24:47 UTC |
| Received | 26 Oct 2026, 20:45:43 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 652367 |
| Run time | 1 hours 36 min 31 sec |
| CPU time | 1 hours 25 min 25 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 24,724.80 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 738.88 MB |
| Peak swap size | 12.99 GB |
| Peak disk usage | 3.49 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
21:31:28 (37784): wrapper (7.9.26016): starting
21:31:28 (37784): 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
21:31:33 (37784): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:31:33 (37784): 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\54\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\54\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) : {3835441} normal block at 0x0000026FECDCDC70, 8 bytes long.
Data: < ( o > 00 00 28 ED 6F 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833968} normal block at 0x0000026FECDFB570, 1080 bytes long.
Data: <H > 48 92 00 00 CD CD CD CD DC 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000026FECDD1980, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
22:15:19 (37304): wrapper (7.9.26016): starting
22:15:19 (37304): 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\54\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1782} normal block at 0x00000139F6F56F90, 8 bytes long.
Data: < 4 9 > 00 00 34 F7 39 01 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x00000139F6F57510, 1080 bytes long.
Data: < H > 10 AE 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
22:28:05 (39004): wrapper (7.9.26016): starting
22:28:05 (39004): 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\54\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1782} normal block at 0x000002727BFF68F0, 8 bytes long.
Data: < P|r > 00 00 50 7C 72 02 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x000002727BFF7460, 1080 bytes long.
Data: < \ > B8 BB 00 00 CD CD CD CD 5C 01 00 00 00 00 00 00
Object dump complete.
22:54:50 (16492): wrapper (7.9.26016): starting
22:54:50 (16492): 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\54\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1782} normal block at 0x00000208C8DC6C70, 8 bytes long.
Data: < ( > 00 00 28 C9 08 02 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x00000208C8DC7150, 1080 bytes long.
Data: < T > E0 AE 00 00 CD CD CD CD 54 01 00 00 00 00 00 00
Object dump complete.
23:08:45 (10472): wrapper (7.9.26016): starting
23:08:45 (10472): 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\54\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1782} normal block at 0x000002EACC276760, 8 bytes long.
Data: < | > 00 00 7C CC EA 02 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x000002EACC277460, 1080 bytes long.
Data: < L > C8 AD 00 00 CD CD CD CD 4C 01 00 00 00 00 00 00
Object dump complete.
23:30:35 (38204): wrapper (7.9.26016): starting
23:30:35 (38204): 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\54\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
23:44:26 (38204): C:/Windows/system32/cmd.exe exited; CPU time 720.953125
23:44:26 (38204): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 18951943 bytes.
Dumping objects ->
{1871} normal block at 0x00000190BDA85450, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1860} normal block at 0x00000190BDA85220, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1849} normal block at 0x00000190BDA853E0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1838} normal block at 0x00000190BDA85370, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1827} normal block at 0x00000190BDA85140, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1796} normal block at 0x00000190BDA7F810, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1785} normal block at 0x00000190BDA6C8B0, 102 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) : {1782} normal block at 0x00000190BDA86320, 8 bytes long.
Data: < > 00 00 A5 BD 90 01 00 00
{1039} normal block at 0x00000190BDA85D80, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{310} normal block at 0x00000190BDA86280, 8 bytes long.
Data: <0t > 30 74 A8 BD 90 01 00 00
{301} normal block at 0x00000190BDA76E20, 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 0x00000190BDA86B40, 16 bytes long.
Data: <8s > 38 73 A8 BD 90 01 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x00000190BDA86820, 16 bytes long.
Data: < s > 10 73 A8 BD 90 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x00000190BDA80200, 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 0x00000190BDA86B90, 16 bytes long.
Data: < r > E8 72 A8 BD 90 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000190BDA86D20, 16 bytes long.
Data: < r > C0 72 A8 BD 90 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000190BDA86690, 16 bytes long.
Data: < r > 98 72 A8 BD 90 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000190BDA86CD0, 16 bytes long.
Data: <pr > 70 72 A8 BD 90 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000190BDA850D0, 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 0x00000190BDA865F0, 16 bytes long.
Data: <h > 68 FA A6 BD 90 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000190BDA800E0, 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 0x00000190BDA865A0, 16 bytes long.
Data: <@ > 40 FA A6 BD 90 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000190BDA86550, 16 bytes long.
Data: < > 18 FA A6 BD 90 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000190BDA86960, 16 bytes long.
Data: < > F0 F9 A6 BD 90 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000190BDA86C80, 16 bytes long.
Data: < > C8 F9 A6 BD 90 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000190BDA862D0, 16 bytes long.
Data: < > A0 F9 A6 BD 90 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000190BDA86AA0, 16 bytes long.
Data: <x > 78 F9 A6 BD 90 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000190BDA80440, 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 0x00000190BDA86730, 16 bytes long.
Data: <P > 50 F9 A6 BD 90 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000190BDA6F950, 320 bytes long.
Data: <0g @ > 30 67 A8 BD 90 01 00 00 40 04 A8 BD 90 01 00 00
{280} normal block at 0x00000190BDA86230, 16 bytes long.
Data: <Pr > 50 72 A8 BD 90 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000190BDA86140, 16 bytes long.
Data: <(r > 28 72 A8 BD 90 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000190BDA7F900, 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 0x00000190BDA86A50, 16 bytes long.
Data: < r > 00 72 A8 BD 90 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000190BDA80800, 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 0x00000190BDA867D0, 16 bytes long.
Data: <Hq > 48 71 A8 BD 90 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000190BDA86AF0, 16 bytes long.
Data: < q > 20 71 A8 BD 90 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000190BDA86C30, 16 bytes long.
Data: < p > F8 70 A8 BD 90 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000190BDA86E10, 16 bytes long.
Data: < p > D0 70 A8 BD 90 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000190BDA86780, 16 bytes long.
Data: < p > A8 70 A8 BD 90 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000190BDA86DC0, 16 bytes long.
Data: < p > 80 70 A8 BD 90 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000190BDA868C0, 16 bytes long.
Data: <`P > 60 50 A8 BD 90 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000190BDA85060, 40 bytes long.
Data: < h > C0 68 A8 BD 90 01 00 00 10 F8 A7 BD 90 01 00 00
{266} normal block at 0x00000190BDA864B0, 16 bytes long.
Data: <`p > 60 70 A8 BD 90 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000190BDA86410, 16 bytes long.
Data: <8p > 38 70 A8 BD 90 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000190BDA7FFC0, 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 0x00000190BDA86500, 16 bytes long.
Data: < p > 10 70 A8 BD 90 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000190BDA87010, 992 bytes long.
Data: < e > 00 65 A8 BD 90 01 00 00 C0 FF A7 BD 90 01 00 00
{98} normal block at 0x00000190BDA807A0, 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 0x00000190BDA7D8D0, 16 bytes long.
Data: < V > 10 56 A8 BD 90 01 00 00 00 00 00 00 00 00 00 00
{96} normal block at 0x00000190BDA85610, 40 bytes long.
Data: < > D0 D8 A7 BD 90 01 00 00 A0 07 A8 BD 90 01 00 00
{75} normal block at 0x00000190BDA7DD80, 16 bytes long.
Data: < > 80 EA 9A 05 F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x00000190BDA7E690, 16 bytes long.
Data: <@ > 40 E9 9A 05 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x00000190BDA7E3C0, 16 bytes long.
Data: < W > F8 57 97 05 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x00000190BDA7DF10, 16 bytes long.
Data: < W > D8 57 97 05 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000190BDA7E050, 16 bytes long.
Data: <P > 50 04 97 05 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000190BDA7DBF0, 16 bytes long.
Data: <0 > 30 04 97 05 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000190BDA7D920, 16 bytes long.
Data: < > E0 02 97 05 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000190BDA7E320, 16 bytes long.
Data: < > 10 04 97 05 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000190BDA7DEC0, 16 bytes long.
Data: <p > 70 04 97 05 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000190BDA7DA60, 16 bytes long.
Data: < > 18 C0 95 05 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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