Task 38694807
| Name | test_4-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND5913_0 |
| Workunit | 31635537 |
| Created | 31 Oct 2026, 2:27:02 UTC |
| Sent | 31 Oct 2026, 2:27:09 UTC |
| Report deadline | 5 Nov 2026, 2:27:09 UTC |
| Received | 1 Nov 2026, 21:46:00 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 593435 |
| Run time | 1 hours 48 min 4 sec |
| CPU time | 1 hours 40 min 53 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 4,635.92 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 673.45 MB |
| Peak swap size | 6.73 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
21:29:08 (20316): wrapper (7.9.26016): starting
21:29:08 (20316): 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
21:29:11 (20316): Library/usr/bin/tar.exe exited; CPU time 0.015625
21:29:11 (20316): 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 'D:\ProgramData\BOINC\slots\16\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 'D:\ProgramData\BOINC\slots\16\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.
14:32:33 (2728): wrapper (7.9.26016): starting
14:32:33 (2728): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\ProgramData\BOINC\slots\16\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 0x0000016FE6A82C10, 8 bytes long.
Data: < @ o > 00 00 40 E8 6F 01 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x0000016FE6A84850, 1080 bytes long.
Data: < > 18 15 00 00 CD CD CD CD A4 00 00 00 00 00 00 00
Object dump complete.
15:06:23 (6084): wrapper (7.9.26016): starting
15:06:23 (6084): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\ProgramData\BOINC\slots\16\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 0x0000023831A72740, 8 bytes long.
Data: < /38 > 00 00 2F 33 38 02 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x0000023831A73E30, 1080 bytes long.
Data: < I < > 04 49 00 00 CD CD CD CD 3C 01 00 00 00 00 00 00
Object dump complete.
15:32:33 (11520): wrapper (7.9.26016): starting
15:32:33 (11520): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\ProgramData\BOINC\slots\16\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
15:45:10 (11520): C:/Windows/system32/cmd.exe exited; CPU time 702.687500
15:45:10 (11520): 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: 10467379 bytes.
Dumping objects ->
{1546} normal block at 0x000002241EB7BBB0, 48 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{1535} normal block at 0x000002241EB7BAD0, 48 bytes long.
Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{1524} normal block at 0x000002241EB7B830, 48 bytes long.
Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61
{1513} normal block at 0x000002241EB7BDE0, 48 bytes long.
Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{1502} normal block at 0x000002241EB7B980, 48 bytes long.
Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61
{1471} normal block at 0x000002241EB66360, 64 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
..\api\boinc_api.cpp(309) : {1458} normal block at 0x000002241EB807D0, 8 bytes long.
Data: < $ > 00 00 B3 1E 24 02 00 00
{302} normal block at 0x000002241EB81090, 8 bytes long.
Data: < 0 $ > 80 30 B8 1E 24 02 00 00
{293} normal block at 0x000002241EB6B880, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{292} normal block at 0x000002241EB80E60, 16 bytes long.
Data: < / $ > 88 2F B8 1E 24 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002241EB80B90, 16 bytes long.
Data: <`/ $ > 60 2F B8 1E 24 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002241EB7C530, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{289} normal block at 0x000002241EB81360, 16 bytes long.
Data: <8/ $ > 38 2F B8 1E 24 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002241EB80E10, 16 bytes long.
Data: < / $ > 10 2F B8 1E 24 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002241EB80B40, 16 bytes long.
Data: < . $ > E8 2E B8 1E 24 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002241EB81180, 16 bytes long.
Data: < . $ > C0 2E B8 1E 24 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002241EB7B910, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{284} normal block at 0x000002241EB80D70, 16 bytes long.
Data: < \ $ > D8 5C B6 1E 24 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002241EB7CB30, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{282} normal block at 0x000002241EB80DC0, 16 bytes long.
Data: < \ $ > B0 5C B6 1E 24 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002241EB80D20, 16 bytes long.
Data: < \ $ > 88 5C B6 1E 24 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002241EB80F50, 16 bytes long.
Data: <`\ $ > 60 5C B6 1E 24 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002241EB810E0, 16 bytes long.
Data: <8\ $ > 38 5C B6 1E 24 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002241EB80AF0, 16 bytes long.
Data: < \ $ > 10 5C B6 1E 24 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002241EB80780, 16 bytes long.
Data: < [ $ > E8 5B B6 1E 24 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002241EB7C9B0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{274} normal block at 0x000002241EB80F00, 16 bytes long.
Data: < [ $ > C0 5B B6 1E 24 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002241EB65BC0, 320 bytes long.
Data: < $ $ > 00 0F B8 1E 24 02 00 00 B0 C9 B7 1E 24 02 00 00
{272} normal block at 0x000002241EB80C30, 16 bytes long.
Data: < . $ > A0 2E B8 1E 24 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002241EB80A50, 16 bytes long.
Data: <x. $ > 78 2E B8 1E 24 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002241EB7C4D0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{269} normal block at 0x000002241EB81450, 16 bytes long.
Data: <P. $ > 50 2E B8 1E 24 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002241EB7C770, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{267} normal block at 0x000002241EB809B0, 16 bytes long.
Data: < - $ > 98 2D B8 1E 24 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002241EB80910, 16 bytes long.
Data: <p- $ > 70 2D B8 1E 24 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002241EB81310, 16 bytes long.
Data: <H- $ > 48 2D B8 1E 24 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002241EB808C0, 16 bytes long.
Data: < - $ > 20 2D B8 1E 24 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002241EB80870, 16 bytes long.
Data: < , $ > F8 2C B8 1E 24 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002241EB812C0, 16 bytes long.
Data: < , $ > D0 2C B8 1E 24 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000002241EB80EB0, 16 bytes long.
Data: < $ > A0 B8 B7 1E 24 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000002241EB7B8A0, 40 bytes long.
Data: < $ `c $ > B0 0E B8 1E 24 02 00 00 60 63 B6 1E 24 02 00 00
{258} normal block at 0x000002241EB81040, 16 bytes long.
Data: < , $ > B0 2C B8 1E 24 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000002241EB80CD0, 16 bytes long.
Data: < , $ > 88 2C B8 1E 24 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000002241EB7C170, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{255} normal block at 0x000002241EB80960, 16 bytes long.
Data: <`, $ > 60 2C B8 1E 24 02 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x000002241EB82C60, 992 bytes long.
Data: <` $ p $ > 60 09 B8 1E 24 02 00 00 70 C1 B7 1E 24 02 00 00
{90} normal block at 0x000002241EB7C3B0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{89} normal block at 0x000002241EB75830, 16 bytes long.
Data: <` $ > 60 BA B7 1E 24 02 00 00 00 00 00 00 00 00 00 00
{88} normal block at 0x000002241EB7BA60, 40 bytes long.
Data: <0X $ $ > 30 58 B7 1E 24 02 00 00 B0 C3 B7 1E 24 02 00 00
{67} normal block at 0x000002241EB75740, 16 bytes long.
Data: < > 80 EA E5 EF F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002241EB76000, 16 bytes long.
Data: <@ > 40 E9 E5 EF F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002241EB75600, 16 bytes long.
Data: < W > F8 57 E2 EF F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002241EB761E0, 16 bytes long.
Data: < W > D8 57 E2 EF F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002241EB756A0, 16 bytes long.
Data: <P > 50 04 E2 EF F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002241EB75A60, 16 bytes long.
Data: <0 > 30 04 E2 EF F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000002241EB76190, 16 bytes long.
Data: < > E0 02 E2 EF F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000002241EB75560, 16 bytes long.
Data: < > 10 04 E2 EF F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000002241EB76050, 16 bytes long.
Data: <p > 70 04 E2 EF F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000002241EB757E0, 16 bytes long.
Data: < > 18 C0 E0 EF F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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