Task 38669905
| Name | test_356-GPUGRID_TEST_ATM_40STEP_20261023-15-40-RND7656_1 |
| Workunit | 31612191 |
| Created | 25 Oct 2026, 15:54:41 UTC |
| Sent | 25 Oct 2026, 15:54:45 UTC |
| Report deadline | 30 Oct 2026, 15:54:45 UTC |
| Received | 27 Oct 2026, 11:18:12 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 613320 |
| Run time | 22 min 45 sec |
| CPU time | 20 min 53 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 50,491.95 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 749.55 MB |
| Peak swap size | 10.03 GB |
| Peak disk usage | 3.76 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:11:28 (17164): wrapper (7.9.26016): starting
00:11:28 (17164): 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
00:11:29 (17164): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:11:29 (17164): 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.
12:08:23 (10920): wrapper (7.9.26016): starting
12:08:23 (10920): 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
12:16:09 (10920): C:/Windows/system32/cmd.exe exited; CPU time 418.843750
12:16:09 (10920): 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: 6829950 bytes.
Dumping objects ->
{1842} normal block at 0x0000026F5EC56190, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1831} normal block at 0x0000026F5EC56580, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1820} normal block at 0x0000026F5EC56510, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1809} normal block at 0x0000026F5EC56200, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1798} normal block at 0x0000026F5EC56430, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1767} normal block at 0x0000026F5EC3D620, 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) : {1754} normal block at 0x0000026F5EC55300, 8 bytes long.
Data: < ^o > 00 00 BE 5E 6F 02 00 00
{307} normal block at 0x0000026F5EC54630, 8 bytes long.
Data: <@f ^o > 40 66 C5 5E 6F 02 00 00
{298} normal block at 0x0000026F5EC40800, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{297} normal block at 0x0000026F5EC550D0, 16 bytes long.
Data: <8] ^o > 38 5D C5 5E 6F 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000026F5EC553A0, 16 bytes long.
Data: < ] ^o > 10 5D C5 5E 6F 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000026F5EC4F590, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{294} normal block at 0x0000026F5EC544A0, 16 bytes long.
Data: < \ ^o > E8 5C C5 5E 6F 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000026F5EC552B0, 16 bytes long.
Data: < \ ^o > C0 5C C5 5E 6F 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000026F5EC54590, 16 bytes long.
Data: < \ ^o > 98 5C C5 5E 6F 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000026F5EC54EA0, 16 bytes long.
Data: <p\ ^o > 70 5C C5 5E 6F 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000026F5EC564A0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{289} normal block at 0x0000026F5EC54D60, 16 bytes long.
Data: < ^o > B8 F5 C3 5E 6F 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000026F5EC4F410, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{287} normal block at 0x0000026F5EC54D10, 16 bytes long.
Data: < ^o > 90 F5 C3 5E 6F 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000026F5EC549F0, 16 bytes long.
Data: <h ^o > 68 F5 C3 5E 6F 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000026F5EC549A0, 16 bytes long.
Data: <@ ^o > 40 F5 C3 5E 6F 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000026F5EC54A90, 16 bytes long.
Data: < ^o > 18 F5 C3 5E 6F 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000026F5EC54CC0, 16 bytes long.
Data: < ^o > F0 F4 C3 5E 6F 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000026F5EC545E0, 16 bytes long.
Data: < ^o > C8 F4 C3 5E 6F 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000026F5EC4F770, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{279} normal block at 0x0000026F5EC54F90, 16 bytes long.
Data: < ^o > A0 F4 C3 5E 6F 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000026F5EC3F4A0, 320 bytes long.
Data: < O ^o p ^o > 90 4F C5 5E 6F 02 00 00 70 F7 C4 5E 6F 02 00 00
{277} normal block at 0x0000026F5EC54C70, 16 bytes long.
Data: <P\ ^o > 50 5C C5 5E 6F 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000026F5EC54810, 16 bytes long.
Data: <(\ ^o > 28 5C C5 5E 6F 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000026F5EC4EE70, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{274} normal block at 0x0000026F5EC544F0, 16 bytes long.
Data: < \ ^o > 00 5C C5 5E 6F 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000026F5EC4F7D0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{272} normal block at 0x0000026F5EC54DB0, 16 bytes long.
Data: <H[ ^o > 48 5B C5 5E 6F 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000026F5EC54C20, 16 bytes long.
Data: < [ ^o > 20 5B C5 5E 6F 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000026F5EC551C0, 16 bytes long.
Data: < Z ^o > F8 5A C5 5E 6F 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000026F5EC548B0, 16 bytes long.
Data: < Z ^o > D0 5A C5 5E 6F 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000026F5EC54B30, 16 bytes long.
Data: < Z ^o > A8 5A C5 5E 6F 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000026F5EC54E50, 16 bytes long.
Data: < Z ^o > 80 5A C5 5E 6F 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000026F5EC54770, 16 bytes long.
Data: < ^o > B0 D5 C3 5E 6F 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000026F5EC3D5B0, 40 bytes long.
Data: <pG ^o ^o > 70 47 C5 5E 6F 02 00 00 20 D6 C3 5E 6F 02 00 00
{263} normal block at 0x0000026F5EC55080, 16 bytes long.
Data: <`Z ^o > 60 5A C5 5E 6F 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000026F5EC54720, 16 bytes long.
Data: <8Z ^o > 38 5A C5 5E 6F 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000026F5EC4EDB0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{260} normal block at 0x0000026F5EC54EF0, 16 bytes long.
Data: < Z ^o > 10 5A C5 5E 6F 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000026F5EC55A10, 992 bytes long.
Data: < N ^o ^o > F0 4E C5 5E 6F 02 00 00 B0 ED C4 5E 6F 02 00 00
{95} normal block at 0x0000026F5EC4E9F0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{94} normal block at 0x0000026F5EC4D5B0, 16 bytes long.
Data: < ^o > C0 C9 C3 5E 6F 02 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x0000026F5EC3C9C0, 40 bytes long.
Data: < ^o ^o > B0 D5 C4 5E 6F 02 00 00 F0 E9 C4 5E 6F 02 00 00
{72} normal block at 0x0000026F5EC4DB50, 16 bytes long.
Data: < > 80 EA 81 B1 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000026F5EC4D1F0, 16 bytes long.
Data: <@ > 40 E9 81 B1 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000026F5EC4D290, 16 bytes long.
Data: < W~ > F8 57 7E B1 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000026F5EC4D240, 16 bytes long.
Data: < W~ > D8 57 7E B1 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000026F5EC4DC90, 16 bytes long.
Data: <P ~ > 50 04 7E B1 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000026F5EC4DA10, 16 bytes long.
Data: <0 ~ > 30 04 7E B1 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000026F5EC4DCE0, 16 bytes long.
Data: < ~ > E0 02 7E B1 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000026F5EC4DA60, 16 bytes long.
Data: < ~ > 10 04 7E B1 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000026F5EC4D740, 16 bytes long.
Data: <p ~ > 70 04 7E B1 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000026F5EC4D420, 16 bytes long.
Data: < | > 18 C0 7C B1 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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