Task 38668700
| Name | test_660-GPUGRID_TEST_ATM_40STEP_20261023-14-40-RND9848_0 |
| Workunit | 31611156 |
| Created | 25 Oct 2026, 12:30:21 UTC |
| Sent | 25 Oct 2026, 12:30:28 UTC |
| Report deadline | 30 Oct 2026, 12:30:28 UTC |
| Received | 1 Nov 2026, 12:17:46 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 645980 |
| Run time | 24 min 25 sec |
| CPU time | 23 min 6 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 31,424.04 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 759.32 MB |
| Peak swap size | 12.96 GB |
| Peak disk usage | 3.02 GB |
Stderr output
<core_client_version>8.2.13</core_client_version>
<![CDATA[
<stderr_txt>
22:39:10 (25572): wrapper (7.9.26016): starting
22:39:10 (25572): 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
22:39:12 (25572): Library/usr/bin/tar.exe exited; CPU time 0.015625
22:39:12 (25572): 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\0\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\0\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) : {3835177} normal block at 0x00000267E088C390, 8 bytes long.
Data: < g > 00 00 CA E0 67 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833986} normal block at 0x00000267E26B9B50, 1080 bytes long.
Data: <h P > 68 AB 00 00 CD CD CD CD 50 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {325} normal block at 0x00000267E0892940, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
13:15:53 (43920): wrapper (7.9.26016): starting
13:15:53 (43920): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\0\tmp" existiert bereits.
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
13:22:19 (43920): C:/Windows/system32/cmd.exe exited; CPU time 363.328125
13:22:19 (43920): 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: 9443798 bytes.
Dumping objects ->
{1597} normal block at 0x00000156696F6340, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1586} normal block at 0x00000156696F6810, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1575} normal block at 0x00000156696F6260, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1564} normal block at 0x00000156696F6730, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1553} normal block at 0x00000156696F67A0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1522} normal block at 0x00000156696E0A20, 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) : {1509} normal block at 0x00000156696F8A40, 8 bytes long.
Data: < iV > 00 00 BE 69 56 01 00 00
{319} normal block at 0x00000156696F8950, 8 bytes long.
Data: < oiV > 90 92 6F 69 56 01 00 00
{310} normal block at 0x00000156696E80A0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{309} normal block at 0x00000156696F8900, 16 bytes long.
Data: < oiV > 98 91 6F 69 56 01 00 00 00 00 00 00 00 00 00 00
{308} normal block at 0x00000156696F8810, 16 bytes long.
Data: <p oiV > 70 91 6F 69 56 01 00 00 00 00 00 00 00 00 00 00
{307} normal block at 0x00000156696F4590, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{306} normal block at 0x00000156696F80E0, 16 bytes long.
Data: <H oiV > 48 91 6F 69 56 01 00 00 00 00 00 00 00 00 00 00
{305} normal block at 0x00000156696F8270, 16 bytes long.
Data: < oiV > 20 91 6F 69 56 01 00 00 00 00 00 00 00 00 00 00
{304} normal block at 0x00000156696F7F50, 16 bytes long.
Data: < oiV > F8 90 6F 69 56 01 00 00 00 00 00 00 00 00 00 00
{303} normal block at 0x00000156696F8630, 16 bytes long.
Data: < oiV > D0 90 6F 69 56 01 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x00000156696F62D0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{301} normal block at 0x00000156696F8E00, 16 bytes long.
Data: < niV > 98 05 6E 69 56 01 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x00000156696F4650, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{299} normal block at 0x00000156696F87C0, 16 bytes long.
Data: <p niV > 70 05 6E 69 56 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x00000156696F8860, 16 bytes long.
Data: <H niV > 48 05 6E 69 56 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000156696F84F0, 16 bytes long.
Data: < niV > 20 05 6E 69 56 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000156696F8680, 16 bytes long.
Data: < niV > F8 04 6E 69 56 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000156696F8400, 16 bytes long.
Data: < niV > D0 04 6E 69 56 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000156696F8770, 16 bytes long.
Data: < niV > A8 04 6E 69 56 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000156696F3C90, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{291} normal block at 0x00000156696F8C20, 16 bytes long.
Data: < niV > 80 04 6E 69 56 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000156696E0480, 320 bytes long.
Data: < oiV <oiV > 20 8C 6F 69 56 01 00 00 90 3C 6F 69 56 01 00 00
{289} normal block at 0x00000156696F7FA0, 16 bytes long.
Data: < oiV > B0 90 6F 69 56 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000156696F8A90, 16 bytes long.
Data: < oiV > 88 90 6F 69 56 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000156696F4050, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{286} normal block at 0x00000156696F8DB0, 16 bytes long.
Data: <` oiV > 60 90 6F 69 56 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000156696F44D0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{284} normal block at 0x00000156696F8590, 16 bytes long.
Data: < oiV > A8 8F 6F 69 56 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000156696F82C0, 16 bytes long.
Data: < oiV > 80 8F 6F 69 56 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000156696F84A0, 16 bytes long.
Data: <X oiV > 58 8F 6F 69 56 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000156696F8D10, 16 bytes long.
Data: <0 oiV > 30 8F 6F 69 56 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000156696F8450, 16 bytes long.
Data: < oiV > 08 8F 6F 69 56 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000156696F8360, 16 bytes long.
Data: < oiV > E0 8E 6F 69 56 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000156696F8090, 16 bytes long.
Data: <peoiV > 70 65 6F 69 56 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000156696F6570, 40 bytes long.
Data: < oiV niV > 90 80 6F 69 56 01 00 00 20 0A 6E 69 56 01 00 00
{275} normal block at 0x00000156696F86D0, 16 bytes long.
Data: < oiV > C0 8E 6F 69 56 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000156696F8040, 16 bytes long.
Data: < oiV > 98 8E 6F 69 56 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000156696F3D50, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{272} normal block at 0x00000156696F81D0, 16 bytes long.
Data: <p oiV > 70 8E 6F 69 56 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000156696F8E70, 992 bytes long.
Data: < oiV P=oiV > D0 81 6F 69 56 01 00 00 50 3D 6F 69 56 01 00 00
{107} normal block at 0x00000156696F4470, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{106} normal block at 0x00000156696EC530, 16 bytes long.
Data: <`ioiV > 60 69 6F 69 56 01 00 00 00 00 00 00 00 00 00 00
{105} normal block at 0x00000156696F6960, 40 bytes long.
Data: <0 niV pDoiV > 30 C5 6E 69 56 01 00 00 70 44 6F 69 56 01 00 00
{84} normal block at 0x00000156696ED070, 16 bytes long.
Data: < > 80 EA 99 06 F6 7F 00 00 00 00 00 00 00 00 00 00
{83} normal block at 0x00000156696EC670, 16 bytes long.
Data: <@ > 40 E9 99 06 F6 7F 00 00 00 00 00 00 00 00 00 00
{82} normal block at 0x00000156696ECB20, 16 bytes long.
Data: < W > F8 57 96 06 F6 7F 00 00 00 00 00 00 00 00 00 00
{81} normal block at 0x00000156696ECB70, 16 bytes long.
Data: < W > D8 57 96 06 F6 7F 00 00 00 00 00 00 00 00 00 00
{80} normal block at 0x00000156696ECE40, 16 bytes long.
Data: <P > 50 04 96 06 F6 7F 00 00 00 00 00 00 00 00 00 00
{79} normal block at 0x00000156696EC3F0, 16 bytes long.
Data: <0 > 30 04 96 06 F6 7F 00 00 00 00 00 00 00 00 00 00
{78} normal block at 0x00000156696ECA80, 16 bytes long.
Data: < > E0 02 96 06 F6 7F 00 00 00 00 00 00 00 00 00 00
{77} normal block at 0x00000156696EC940, 16 bytes long.
Data: < > 10 04 96 06 F6 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x00000156696EC120, 16 bytes long.
Data: <p > 70 04 96 06 F6 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x00000156696EC580, 16 bytes long.
Data: < > 18 C0 94 06 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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