Task 38651233
| Name | test_39-GPUGRID_TEST_ATM_40STEP_20261023-2-40-RND0061_0 |
| Workunit | 31595654 |
| Created | 24 Oct 2026, 1:14:10 UTC |
| Sent | 24 Oct 2026, 1:22:30 UTC |
| Report deadline | 29 Oct 2026, 1:22:30 UTC |
| Received | 24 Oct 2026, 19:13:46 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 561610 |
| Run time | 43 min 39 sec |
| CPU time | 41 min 5 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 5,156.89 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 678.56 MB |
| Peak swap size | 5.21 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
06:38:52 (251812): wrapper (7.9.26016): starting
06:38:52 (251812): 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
06:38:53 (251812): Library/usr/bin/tar.exe exited; CPU time 0.031250
06:38:53 (251812): 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\1\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\1\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) : {3835124} normal block at 0x000001DC612DDF60, 8 bytes long.
Data: < ua > 00 00 75 61 DC 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833964} normal block at 0x000001DC630B5910, 1080 bytes long.
Data: <8 < > 38 94 03 00 CD CD CD CD 3C 03 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000001DC612E1F90, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
14:52:11 (264776): wrapper (7.9.26016): starting
14:52:11 (264776): 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\1\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
14:53:48 (264776): C:/Windows/system32/cmd.exe exited; CPU time 63.125000
14:53:48 (264776): 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: 1755106 bytes.
Dumping objects ->
{1555} normal block at 0x00000294830844F0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1544} normal block at 0x0000029483084790, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1533} normal block at 0x0000029483084870, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1522} normal block at 0x0000029483084720, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1511} normal block at 0x00000294830846B0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1480} normal block at 0x000002948306F490, 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) : {1467} normal block at 0x00000294830869A0, 8 bytes long.
Data: < N > 00 00 4E 83 94 02 00 00
{308} normal block at 0x0000029483086770, 8 bytes long.
Data: < s > D0 73 08 83 94 02 00 00
{299} normal block at 0x0000029483076F70, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{298} normal block at 0x0000029483086310, 16 bytes long.
Data: < r > D8 72 08 83 94 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000029483086180, 16 bytes long.
Data: < r > B0 72 08 83 94 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000002948307FDD0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{295} normal block at 0x0000029483086720, 16 bytes long.
Data: < r > 88 72 08 83 94 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000029483086C20, 16 bytes long.
Data: <`r > 60 72 08 83 94 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000029483086630, 16 bytes long.
Data: <8r > 38 72 08 83 94 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000029483086E50, 16 bytes long.
Data: < r > 10 72 08 83 94 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000294830848E0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{290} normal block at 0x00000294830866D0, 16 bytes long.
Data: < > E8 EF 06 83 94 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000029483080370, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{288} normal block at 0x0000029483086860, 16 bytes long.
Data: < > C0 EF 06 83 94 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000029483086DB0, 16 bytes long.
Data: < > 98 EF 06 83 94 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000294830865E0, 16 bytes long.
Data: <p > 70 EF 06 83 94 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000029483086CC0, 16 bytes long.
Data: <H > 48 EF 06 83 94 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000029483086040, 16 bytes long.
Data: < > 20 EF 06 83 94 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000029483086680, 16 bytes long.
Data: < > F8 EE 06 83 94 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002948307FF50, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{280} normal block at 0x0000029483086D60, 16 bytes long.
Data: < > D0 EE 06 83 94 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002948306EED0, 320 bytes long.
Data: <`m P > 60 6D 08 83 94 02 00 00 50 FF 07 83 94 02 00 00
{278} normal block at 0x00000294830862C0, 16 bytes long.
Data: < q > F0 71 08 83 94 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000294830863B0, 16 bytes long.
Data: < q > C8 71 08 83 94 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000294830802B0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{275} normal block at 0x0000029483086B80, 16 bytes long.
Data: < q > A0 71 08 83 94 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002948307FE90, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{273} normal block at 0x00000294830869F0, 16 bytes long.
Data: < p > E8 70 08 83 94 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000294830860E0, 16 bytes long.
Data: < p > C0 70 08 83 94 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000029483086590, 16 bytes long.
Data: < p > 98 70 08 83 94 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000029483086400, 16 bytes long.
Data: <pp > 70 70 08 83 94 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000029483086A90, 16 bytes long.
Data: <Hp > 48 70 08 83 94 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000029483086270, 16 bytes long.
Data: < p > 20 70 08 83 94 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000029483086540, 16 bytes long.
Data: <@F > 40 46 08 83 94 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000029483084640, 40 bytes long.
Data: <@e > 40 65 08 83 94 02 00 00 90 F4 06 83 94 02 00 00
{264} normal block at 0x0000029483086BD0, 16 bytes long.
Data: < p > 00 70 08 83 94 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000294830864A0, 16 bytes long.
Data: < o > D8 6F 08 83 94 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000029483080730, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{261} normal block at 0x0000029483086A40, 16 bytes long.
Data: < o > B0 6F 08 83 94 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000029483086FB0, 992 bytes long.
Data: <@j 0 > 40 6A 08 83 94 02 00 00 30 07 08 83 94 02 00 00
{96} normal block at 0x00000294830800D0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{95} normal block at 0x000002948307E0F0, 16 bytes long.
Data: < D > 10 44 08 83 94 02 00 00 00 00 00 00 00 00 00 00
{94} normal block at 0x0000029483084410, 40 bytes long.
Data: < > F0 E0 07 83 94 02 00 00 D0 00 08 83 94 02 00 00
{73} normal block at 0x000002948307E000, 16 bytes long.
Data: < > 80 EA 85 84 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000002948307DB00, 16 bytes long.
Data: <@ > 40 E9 85 84 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000002948307E5F0, 16 bytes long.
Data: < W > F8 57 82 84 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000002948307E140, 16 bytes long.
Data: < W > D8 57 82 84 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002948307E550, 16 bytes long.
Data: <P > 50 04 82 84 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002948307DF60, 16 bytes long.
Data: <0 > 30 04 82 84 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002948307DF10, 16 bytes long.
Data: < > E0 02 82 84 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002948307DAB0, 16 bytes long.
Data: < > 10 04 82 84 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002948307DEC0, 16 bytes long.
Data: <p > 70 04 82 84 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002948307DFB0, 16 bytes long.
Data: < > 18 C0 80 84 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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