Task 38681246
| Name | test_805-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND1243_0 |
| Workunit | 31622921 |
| Created | 27 Oct 2026, 3:14:59 UTC |
| Sent | 27 Oct 2026, 3:15:00 UTC |
| Report deadline | 1 Nov 2026, 3:15:00 UTC |
| Received | 27 Oct 2026, 7:04:10 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654622 |
| Run time | 1 hours 11 min 26 sec |
| CPU time | 49 min 56 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 12,353.06 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 704.64 MB |
| Peak swap size | 6.85 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
13:11:45 (40004): wrapper (7.9.26016): starting
13:11:45 (40004): 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
13:11:47 (40004): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:11:47 (40004): 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\16\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\16\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
14:21:17 (40004): C:/Windows/system32/cmd.exe exited; CPU time 2996.390625
14:21:17 (40004): 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: 90664459 bytes.
Dumping objects ->
{3835294} normal block at 0x000001B72D3DD730, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835283} normal block at 0x000001B72D3DDC00, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835272} normal block at 0x000001B72B3A5E10, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835261} normal block at 0x000001B72B3A5BE0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835250} normal block at 0x000001B72B3A5DA0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835219} normal block at 0x000001B72D424A40, 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) : {3835205} normal block at 0x000001B72B3A16A0, 8 bytes long.
Data: < + > 00 00 89 2B B7 01 00 00
{3834057} normal block at 0x000001B72B3A0890, 8 bytes long.
Data: < OH- > 20 4F 48 2D B7 01 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001B72B3A19E0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001B72B396E60, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{296} normal block at 0x000001B72B3A7030, 16 bytes long.
Data: < u:+ > F8 75 3A 2B B7 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001B72B3A6F90, 16 bytes long.
Data: < u:+ > D0 75 3A 2B B7 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001B72B3A02E0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{293} normal block at 0x000001B72B3A6EF0, 16 bytes long.
Data: < u:+ > A8 75 3A 2B B7 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001B72B3A6450, 16 bytes long.
Data: < u:+ > 80 75 3A 2B B7 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001B72B3A6E50, 16 bytes long.
Data: <Xu:+ > 58 75 3A 2B B7 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001B72B3A6B80, 16 bytes long.
Data: <0u:+ > 30 75 3A 2B B7 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001B72B3A6040, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{288} normal block at 0x000001B72B3A67C0, 16 bytes long.
Data: <x 9+ > 78 9B 39 2B B7 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001B72B39FCE0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{286} normal block at 0x000001B72B3A6A40, 16 bytes long.
Data: <P 9+ > 50 9B 39 2B B7 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001B72B3A6D60, 16 bytes long.
Data: <( 9+ > 28 9B 39 2B B7 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001B72B3A64F0, 16 bytes long.
Data: < 9+ > 00 9B 39 2B B7 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001B72B3A6C70, 16 bytes long.
Data: < 9+ > D8 9A 39 2B B7 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001B72B3A6400, 16 bytes long.
Data: < 9+ > B0 9A 39 2B B7 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001B72B3A6590, 16 bytes long.
Data: < 9+ > 88 9A 39 2B B7 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001B72B39FDA0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{278} normal block at 0x000001B72B3A6FE0, 16 bytes long.
Data: <` 9+ > 60 9A 39 2B B7 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001B72B399A60, 320 bytes long.
Data: < o:+ 9+ > E0 6F 3A 2B B7 01 00 00 A0 FD 39 2B B7 01 00 00
{276} normal block at 0x000001B72B3A6F40, 16 bytes long.
Data: < u:+ > 10 75 3A 2B B7 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001B72B3A6DB0, 16 bytes long.
Data: < t:+ > E8 74 3A 2B B7 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001B72B39FEC0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{273} normal block at 0x000001B72B3A63B0, 16 bytes long.
Data: < t:+ > C0 74 3A 2B B7 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001B72B39FE60, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{271} normal block at 0x000001B72B3A69A0, 16 bytes long.
Data: < t:+ > 08 74 3A 2B B7 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001B72B3A6770, 16 bytes long.
Data: < s:+ > E0 73 3A 2B B7 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001B72B3A6EA0, 16 bytes long.
Data: < s:+ > B8 73 3A 2B B7 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001B72B3A7210, 16 bytes long.
Data: < s:+ > 90 73 3A 2B B7 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001B72B3A6B30, 16 bytes long.
Data: <hs:+ > 68 73 3A 2B B7 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001B72B3A6360, 16 bytes long.
Data: <@s:+ > 40 73 3A 2B B7 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001B72B3A6E00, 16 bytes long.
Data: <0]:+ > 30 5D 3A 2B B7 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001B72B3A5D30, 40 bytes long.
Data: < n:+ @JB- > 00 6E 3A 2B B7 01 00 00 40 4A 42 2D B7 01 00 00
{262} normal block at 0x000001B72B3A65E0, 16 bytes long.
Data: < s:+ > 20 73 3A 2B B7 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001B72B3A7120, 16 bytes long.
Data: < r:+ > F8 72 3A 2B B7 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001B72B39FD40, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{259} normal block at 0x000001B72B3A71C0, 16 bytes long.
Data: < r:+ > D0 72 3A 2B B7 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001B72B3A72D0, 992 bytes long.
Data: < q:+ @ 9+ > C0 71 3A 2B B7 01 00 00 40 FD 39 2B B7 01 00 00
{94} normal block at 0x000001B72B39FE00, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{93} normal block at 0x000001B72B3A0CA0, 16 bytes long.
Data: < 8+ > 10 C3 38 2B B7 01 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x000001B72B38C310, 40 bytes long.
Data: < :+ 9+ > A0 0C 3A 2B B7 01 00 00 00 FE 39 2B B7 01 00 00
{69} normal block at 0x000001B72B3A1240, 16 bytes long.
Data: < mt > 80 EA 6D 74 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001B72B3A1650, 16 bytes long.
Data: <@ mt > 40 E9 6D 74 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001B72B3A1560, 16 bytes long.
Data: < Wjt > F8 57 6A 74 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001B72B3A07F0, 16 bytes long.
Data: < Wjt > D8 57 6A 74 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001B72B3A13D0, 16 bytes long.
Data: <P jt > 50 04 6A 74 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001B72B3A08E0, 16 bytes long.
Data: <0 jt > 30 04 6A 74 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001B72B3A10B0, 16 bytes long.
Data: < jt > E0 02 6A 74 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001B72B3A0ED0, 16 bytes long.
Data: < jt > 10 04 6A 74 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001B72B3A0C50, 16 bytes long.
Data: <p jt > 70 04 6A 74 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001B72B3A15B0, 16 bytes long.
Data: < ht > 18 C0 68 74 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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