Task 38688129
| Name | test_717-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND8342_0 |
| Workunit | 31629498 |
| Created | 28 Oct 2026, 11:52:19 UTC |
| Sent | 28 Oct 2026, 11:52:26 UTC |
| Report deadline | 2 Nov 2026, 11:52:26 UTC |
| Received | 28 Oct 2026, 15:34:07 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 623034 |
| Run time | 22 min 31 sec |
| CPU time | 20 min 32 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 44,609.07 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 720.89 MB |
| Peak swap size | 9.98 GB |
| Peak disk usage | 4.15 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
09:05:47 (39320): wrapper (7.9.26016): starting
09:05:47 (39320): 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
09:05:48 (39320): Library/usr/bin/tar.exe exited; CPU time 0.015625
09:05:48 (39320): 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\24\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\24\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) : {3835117} normal block at 0x00000250FC55EC60, 8 bytes long.
Data: < O P > 00 00 4F FC 50 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833968} normal block at 0x00000250FE31A3C0, 1080 bytes long.
Data: <( l > 28 18 00 00 CD CD CD CD 6C 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x00000250FC5614F0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
10:23:08 (42964): wrapper (7.9.26016): starting
10:23:08 (42964): 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\24\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1458} normal block at 0x0000025281FA5740, 8 bytes long.
Data: < R > 00 00 F4 81 52 02 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x0000025281FA6530, 1080 bytes long.
Data: < D D > 04 44 00 00 CD CD CD CD 44 01 00 00 00 00 00 00
Object dump complete.
10:32:06 (8760): wrapper (7.9.26016): starting
10:32:06 (8760): 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\24\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
10:33:47 (8760): C:/Windows/system32/cmd.exe exited; CPU time 77.015625
10:33:47 (8760): 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: 2000305 bytes.
Dumping objects ->
{1546} normal block at 0x00000267F9974790, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1535} normal block at 0x00000267F9974640, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1524} normal block at 0x00000267F9974C60, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1513} normal block at 0x00000267F9974B80, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1502} normal block at 0x00000267F9974AA0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1471} normal block at 0x00000267F995C410, 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) : {1458} normal block at 0x00000267F9975A50, 8 bytes long.
Data: < g > 00 00 F6 F9 67 02 00 00
{310} normal block at 0x00000267F9975AF0, 8 bytes long.
Data: < e g > C0 65 97 F9 67 02 00 00
{301} normal block at 0x00000267F995F530, 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 0x00000267F9976130, 16 bytes long.
Data: < d g > C8 64 97 F9 67 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x00000267F9975730, 16 bytes long.
Data: < d g > A0 64 97 F9 67 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x00000267F996FE20, 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 0x00000267F9975A00, 16 bytes long.
Data: <xd g > 78 64 97 F9 67 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000267F9975910, 16 bytes long.
Data: <Pd g > 50 64 97 F9 67 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000267F9975500, 16 bytes long.
Data: <(d g > 28 64 97 F9 67 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000267F9975D20, 16 bytes long.
Data: < d g > 00 64 97 F9 67 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000267F99748E0, 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 0x00000267F9975F50, 16 bytes long.
Data: < g > 88 84 96 F9 67 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000267F996F940, 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 0x00000267F99752D0, 16 bytes long.
Data: <` g > 60 84 96 F9 67 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000267F9975D70, 16 bytes long.
Data: <8 g > 38 84 96 F9 67 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000267F9975C80, 16 bytes long.
Data: < g > 10 84 96 F9 67 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000267F9975370, 16 bytes long.
Data: < g > E8 83 96 F9 67 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000267F9975EB0, 16 bytes long.
Data: < g > C0 83 96 F9 67 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000267F9975820, 16 bytes long.
Data: < g > 98 83 96 F9 67 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000267F996FB20, 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 0x00000267F9975870, 16 bytes long.
Data: <p g > 70 83 96 F9 67 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000267F9968370, 320 bytes long.
Data: <pX g g > 70 58 97 F9 67 02 00 00 20 FB 96 F9 67 02 00 00
{280} normal block at 0x00000267F9976090, 16 bytes long.
Data: < c g > E0 63 97 F9 67 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000267F9976040, 16 bytes long.
Data: < c g > B8 63 97 F9 67 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000267F996FF40, 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 0x00000267F99760E0, 16 bytes long.
Data: < c g > 90 63 97 F9 67 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000267F996FDC0, 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 0x00000267F9975DC0, 16 bytes long.
Data: < b g > D8 62 97 F9 67 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000267F9975230, 16 bytes long.
Data: < b g > B0 62 97 F9 67 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000267F99756E0, 16 bytes long.
Data: < b g > 88 62 97 F9 67 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000267F9975C30, 16 bytes long.
Data: <`b g > 60 62 97 F9 67 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000267F99754B0, 16 bytes long.
Data: <8b g > 38 62 97 F9 67 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000267F9975CD0, 16 bytes long.
Data: < b g > 10 62 97 F9 67 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000267F9975E60, 16 bytes long.
Data: <pH g > 70 48 97 F9 67 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000267F9974870, 40 bytes long.
Data: <`^ g g > 60 5E 97 F9 67 02 00 00 10 C4 95 F9 67 02 00 00
{266} normal block at 0x00000267F99759B0, 16 bytes long.
Data: < a g > F0 61 97 F9 67 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000267F9975690, 16 bytes long.
Data: < a g > C8 61 97 F9 67 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000267F996F700, 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 0x00000267F9975B90, 16 bytes long.
Data: < a g > A0 61 97 F9 67 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000267F99761A0, 992 bytes long.
Data: < [ g g > 90 5B 97 F9 67 02 00 00 00 F7 96 F9 67 02 00 00
{98} normal block at 0x00000267F996FEE0, 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 0x00000267F996F040, 16 bytes long.
Data: < g > A0 C3 95 F9 67 02 00 00 00 00 00 00 00 00 00 00
{96} normal block at 0x00000267F995C3A0, 40 bytes long.
Data: <@ g g > 40 F0 96 F9 67 02 00 00 E0 FE 96 F9 67 02 00 00
{75} normal block at 0x00000267F996E960, 16 bytes long.
Data: < ` > 80 EA 60 8B F6 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x00000267F996F180, 16 bytes long.
Data: <@ ` > 40 E9 60 8B F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x00000267F996ED70, 16 bytes long.
Data: < W] > F8 57 5D 8B F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x00000267F996E9B0, 16 bytes long.
Data: < W] > D8 57 5D 8B F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000267F996E870, 16 bytes long.
Data: <P ] > 50 04 5D 8B F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000267F996E820, 16 bytes long.
Data: <0 ] > 30 04 5D 8B F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000267F996F4F0, 16 bytes long.
Data: < ] > E0 02 5D 8B F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000267F996F0E0, 16 bytes long.
Data: < ] > 10 04 5D 8B F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000267F996F5E0, 16 bytes long.
Data: <p ] > 70 04 5D 8B F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000267F996F4A0, 16 bytes long.
Data: < [ > 18 C0 5B 8B F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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