Task 38682548
| Name | test_104-GPUGRID_TEST_ATM_40STEP_20261023-29-40-RND7488_0 |
| Workunit | 31624154 |
| Created | 27 Oct 2026, 8:11:16 UTC |
| Sent | 27 Oct 2026, 8:11:23 UTC |
| Report deadline | 1 Nov 2026, 8:11:23 UTC |
| Received | 27 Oct 2026, 9:14:21 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 653296 |
| Run time | 1 hours 0 min 57 sec |
| CPU time | 38 min 21 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 15,302.18 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 789.84 MB |
| Peak swap size | 11.40 GB |
| Peak disk usage | 4.20 GB |
Stderr output
<core_client_version>8.2.13</core_client_version>
<![CDATA[
<stderr_txt>
16:18:08 (30540): wrapper (7.9.26016): starting
16:18:08 (30540): 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
16:18:11 (30540): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:18:11 (30540): 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\28\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\28\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.
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
17:13:21 (30540): C:/Windows/system32/cmd.exe exited; CPU time 2301.859375
17:13:21 (30540): 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: 81228839 bytes.
Dumping objects ->
{3835355} normal block at 0x000002F25DE19B80, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835344} normal block at 0x000002F25DE1A830, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835333} normal block at 0x000002F25DE1A050, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835322} normal block at 0x000002F25DE1A7C0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835311} normal block at 0x000002F25DE19C60, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835280} normal block at 0x000002F25DDD1DC0, 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) : {3835267} normal block at 0x000002F25A4091B0, 8 bytes long.
Data: < [ > 00 00 FC 5B F2 02 00 00
{3834061} normal block at 0x000002F25A409430, 8 bytes long.
Data: < , ] > 20 2C DD 5D F2 02 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000002F25A3DCE80, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000002F25A3D7080, 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 0x000002F25A409340, 16 bytes long.
Data: < @Z > 08 C8 40 5A F2 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000002F25A4092F0, 16 bytes long.
Data: < @Z > E0 C7 40 5A F2 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000002F25A3EF510, 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 0x000002F25A4092A0, 16 bytes long.
Data: < @Z > B8 C7 40 5A F2 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002F25A409250, 16 bytes long.
Data: < @Z > 90 C7 40 5A F2 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002F25A409480, 16 bytes long.
Data: <h @Z > 68 C7 40 5A F2 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002F25A4090C0, 16 bytes long.
Data: <@ @Z > 40 C7 40 5A F2 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002F25A3EDDA0, 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 0x000002F25A409B10, 16 bytes long.
Data: < >Z > C8 ED 3E 5A F2 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002F25A3EFD50, 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 0x000002F25A409020, 16 bytes long.
Data: < >Z > A0 ED 3E 5A F2 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002F25A409AC0, 16 bytes long.
Data: <x >Z > 78 ED 3E 5A F2 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002F25A409F70, 16 bytes long.
Data: <P >Z > 50 ED 3E 5A F2 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002F25A409840, 16 bytes long.
Data: <( >Z > 28 ED 3E 5A F2 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002F25A409ED0, 16 bytes long.
Data: < >Z > 00 ED 3E 5A F2 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002F25A409750, 16 bytes long.
Data: < >Z > D8 EC 3E 5A F2 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002F25A3EF6F0, 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 0x000002F25A4096B0, 16 bytes long.
Data: < >Z > B0 EC 3E 5A F2 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002F25A3EECB0, 320 bytes long.
Data: < @Z >Z > B0 96 40 5A F2 02 00 00 F0 F6 3E 5A F2 02 00 00
{277} normal block at 0x000002F25A409390, 16 bytes long.
Data: < @Z > 20 C7 40 5A F2 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002F25A409D90, 16 bytes long.
Data: < @Z > F8 C6 40 5A F2 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002F25A3EF210, 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 0x000002F25A409070, 16 bytes long.
Data: < @Z > D0 C6 40 5A F2 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002F25A3EFC30, 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 0x000002F25A409D40, 16 bytes long.
Data: < @Z > 18 C6 40 5A F2 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002F25A409200, 16 bytes long.
Data: < @Z > F0 C5 40 5A F2 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002F25A409CF0, 16 bytes long.
Data: < @Z > C8 C5 40 5A F2 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002F25A409CA0, 16 bytes long.
Data: < @Z > A0 C5 40 5A F2 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002F25A409700, 16 bytes long.
Data: <x @Z > 78 C5 40 5A F2 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002F25A4097F0, 16 bytes long.
Data: <P @Z > 50 C5 40 5A F2 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002F25A409C50, 16 bytes long.
Data: < >Z > 20 DA 3E 5A F2 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002F25A3EDA20, 40 bytes long.
Data: <P @Z ] > 50 9C 40 5A F2 02 00 00 C0 1D DD 5D F2 02 00 00
{263} normal block at 0x000002F25A409A70, 16 bytes long.
Data: <0 @Z > 30 C5 40 5A F2 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002F25A409520, 16 bytes long.
Data: < @Z > 08 C5 40 5A F2 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002F25A3EF2D0, 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 0x000002F25A409C00, 16 bytes long.
Data: < @Z > E0 C4 40 5A F2 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000002F25A40C4E0, 992 bytes long.
Data: < @Z >Z > 00 9C 40 5A F2 02 00 00 D0 F2 3E 5A F2 02 00 00
{95} normal block at 0x000002F25A3EF090, 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 0x000002F25A409110, 16 bytes long.
Data: <` >Z > 60 DF 3E 5A F2 02 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x000002F25A3EDF60, 40 bytes long.
Data: < @Z >Z > 10 91 40 5A F2 02 00 00 90 F0 3E 5A F2 02 00 00
{70} normal block at 0x000002F25A3E0890, 16 bytes long.
Data: < FY > 80 EA 46 59 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002F25A3E0840, 16 bytes long.
Data: <@ FY > 40 E9 46 59 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002F25A3E07F0, 16 bytes long.
Data: < WCY > F8 57 43 59 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002F25A3E07A0, 16 bytes long.
Data: < WCY > D8 57 43 59 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002F25A3E0750, 16 bytes long.
Data: <P CY > 50 04 43 59 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002F25A3DFD50, 16 bytes long.
Data: <0 CY > 30 04 43 59 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002F25A3E0430, 16 bytes long.
Data: < CY > E0 02 43 59 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002F25A3E03E0, 16 bytes long.
Data: < CY > 10 04 43 59 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002F25A3E02F0, 16 bytes long.
Data: <p CY > 70 04 43 59 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000002F25A3E0160, 16 bytes long.
Data: < AY > 18 C0 41 59 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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