Task 38670181
| Name | test_780-GPUGRID_TEST_ATM_40STEP_20261023-13-40-RND0536_0 |
| Workunit | 31612444 |
| Created | 25 Oct 2026, 16:43:14 UTC |
| Sent | 25 Oct 2026, 16:43:27 UTC |
| Report deadline | 30 Oct 2026, 16:43:27 UTC |
| Received | 25 Oct 2026, 22:02:09 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 649275 |
| Run time | 42 min 52 sec |
| CPU time | 35 min 46 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 5,441.05 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 688.71 MB |
| Peak swap size | 2.95 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:47:03 (21372): wrapper (7.9.26016): starting
11:47:03 (21372): 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
11:47:05 (21372): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:47:05 (21372): 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.
12:30:17 (9976): wrapper (7.9.26016): starting
12:30:17 (9976): 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\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
14:58:20 (3468): wrapper (7.9.26016): starting
14:58:20 (3468): 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\0\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
15:01:44 (3468): C:/Windows/system32/cmd.exe exited; CPU time 167.968750
15:01:44 (3468): 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: 3212384 bytes.
Dumping objects ->
{1593} normal block at 0x000002666D4F6170, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1582} normal block at 0x000002666D4F6020, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1571} normal block at 0x000002666D4F6410, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1560} normal block at 0x000002666D4F5ED0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1549} normal block at 0x000002666D4F62C0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1518} normal block at 0x000002666D4E85D0, 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) : {1505} normal block at 0x000002666D4F5460, 8 bytes long.
Data: < mf > 00 00 96 6D 66 02 00 00
{303} normal block at 0x000002666D4F51E0, 8 bytes long.
Data: < @Omf > C0 40 4F 6D 66 02 00 00
{294} normal block at 0x000002666D4E5780, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{293} normal block at 0x000002666D4F4920, 16 bytes long.
Data: < ]Omf > 88 5D 4F 6D 66 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002666D4F47E0, 16 bytes long.
Data: <`]Omf > 60 5D 4F 6D 66 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002666D4F02E0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{290} normal block at 0x000002666D4F5280, 16 bytes long.
Data: <8]Omf > 38 5D 4F 6D 66 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002666D4F46F0, 16 bytes long.
Data: < ]Omf > 10 5D 4F 6D 66 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002666D4F5410, 16 bytes long.
Data: < \Omf > E8 5C 4F 6D 66 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002666D4F5050, 16 bytes long.
Data: < \Omf > C0 5C 4F 6D 66 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002666D4F65D0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{285} normal block at 0x000002666D4F53C0, 16 bytes long.
Data: < Nmf > 08 84 4E 6D 66 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002666D4EFF20, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{283} normal block at 0x000002666D4F4790, 16 bytes long.
Data: < Nmf > E0 83 4E 6D 66 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002666D4F50F0, 16 bytes long.
Data: < Nmf > B8 83 4E 6D 66 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002666D4F46A0, 16 bytes long.
Data: < Nmf > 90 83 4E 6D 66 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002666D4F4E70, 16 bytes long.
Data: <h Nmf > 68 83 4E 6D 66 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002666D4F5500, 16 bytes long.
Data: <@ Nmf > 40 83 4E 6D 66 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002666D4F5140, 16 bytes long.
Data: < Nmf > 18 83 4E 6D 66 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002666D4EFC20, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{275} normal block at 0x000002666D4F4DD0, 16 bytes long.
Data: < Nmf > F0 82 4E 6D 66 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002666D4E82F0, 320 bytes long.
Data: < MOmf Nmf > D0 4D 4F 6D 66 02 00 00 20 FC 4E 6D 66 02 00 00
{273} normal block at 0x000002666D4F4D30, 16 bytes long.
Data: < \Omf > A0 5C 4F 6D 66 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002666D4F5190, 16 bytes long.
Data: <x\Omf > 78 5C 4F 6D 66 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002666D4F03A0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{270} normal block at 0x000002666D4F4F60, 16 bytes long.
Data: <P\Omf > 50 5C 4F 6D 66 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002666D4F0460, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{268} normal block at 0x000002666D4F5000, 16 bytes long.
Data: < [Omf > 98 5B 4F 6D 66 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002666D4F4CE0, 16 bytes long.
Data: <p[Omf > 70 5B 4F 6D 66 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002666D4F5370, 16 bytes long.
Data: <H[Omf > 48 5B 4F 6D 66 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002666D4F4B50, 16 bytes long.
Data: < [Omf > 20 5B 4F 6D 66 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002666D4F4EC0, 16 bytes long.
Data: < ZOmf > F8 5A 4F 6D 66 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002666D4F4BF0, 16 bytes long.
Data: < ZOmf > D0 5A 4F 6D 66 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002666D4F4BA0, 16 bytes long.
Data: < Mmf > C0 DF 4D 6D 66 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000002666D4DDFC0, 40 bytes long.
Data: < KOmf Nmf > A0 4B 4F 6D 66 02 00 00 D0 85 4E 6D 66 02 00 00
{259} normal block at 0x000002666D4F4C90, 16 bytes long.
Data: < ZOmf > B0 5A 4F 6D 66 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000002666D4F4C40, 16 bytes long.
Data: < ZOmf > 88 5A 4F 6D 66 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000002666D4EFBC0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{256} normal block at 0x000002666D4F4E20, 16 bytes long.
Data: <`ZOmf > 60 5A 4F 6D 66 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000002666D4F5A60, 992 bytes long.
Data: < NOmf Nmf > 20 4E 4F 6D 66 02 00 00 C0 FB 4E 6D 66 02 00 00
{91} normal block at 0x000002666D4EF980, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{90} normal block at 0x000002666D4EF1E0, 16 bytes long.
Data: <0 Mmf > 30 C1 4D 6D 66 02 00 00 00 00 00 00 00 00 00 00
{89} normal block at 0x000002666D4DC130, 40 bytes long.
Data: < Nmf Nmf > E0 F1 4E 6D 66 02 00 00 80 F9 4E 6D 66 02 00 00
{68} normal block at 0x000002666D4EE790, 16 bytes long.
Data: < H} > 80 EA 48 7D F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002666D4EE6A0, 16 bytes long.
Data: <@ H} > 40 E9 48 7D F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002666D4EF050, 16 bytes long.
Data: < WE} > F8 57 45 7D F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002666D4EF0F0, 16 bytes long.
Data: < WE} > D8 57 45 7D F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002666D4EF500, 16 bytes long.
Data: <P E} > 50 04 45 7D F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002666D4EF3C0, 16 bytes long.
Data: <0 E} > 30 04 45 7D F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002666D4EE8D0, 16 bytes long.
Data: < E} > E0 02 45 7D F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000002666D4EEC40, 16 bytes long.
Data: < E} > 10 04 45 7D F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000002666D4EF370, 16 bytes long.
Data: <p E} > 70 04 45 7D F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000002666D4EF000, 16 bytes long.
Data: < C} > 18 C0 43 7D F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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