Task 38674844
| Name | test_836-GPUGRID_TEST_ATM_40STEP_20261023-17-40-RND7631_0 |
| Workunit | 31616853 |
| Created | 26 Oct 2026, 6:30:22 UTC |
| Sent | 26 Oct 2026, 6:30:27 UTC |
| Report deadline | 31 Oct 2026, 6:30:27 UTC |
| Received | 26 Oct 2026, 12:26:58 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 650591 |
| Run time | 17 min 25 sec |
| CPU time | 16 min 17 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 32,075.31 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 741.57 MB |
| Peak swap size | 12.95 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
07:31:34 (13008): wrapper (7.9.26016): starting
07:31:34 (13008): 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
07:31:35 (13008): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:31:35 (13008): 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 'G:\BOINC\DATA\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 'G:\BOINC\DATA\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.
13:21:56 (19080): wrapper (7.9.26016): starting
13:21:56 (19080): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file G:\BOINC\DATA\slots\16\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
13:26:14 (19080): C:/Windows/system32/cmd.exe exited; CPU time 239.312500
13:26:14 (19080): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 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: 3754488 bytes.
Dumping objects ->
{1537} normal block at 0x000001BE78426570, 48 bytes long.
Data: <PATH=G:\BOINC\DA> 50 41 54 48 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41
{1526} normal block at 0x000001BE7841ED10, 32 bytes long.
Data: <HOME=G:\BOINC\DA> 48 4F 4D 45 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41
{1515} normal block at 0x000001BE7841ECB0, 32 bytes long.
Data: <TMP=G:\BOINC\DAT> 54 4D 50 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41 54
{1504} normal block at 0x000001BE7841F550, 32 bytes long.
Data: <TEMP=G:\BOINC\DA> 54 45 4D 50 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41
{1493} normal block at 0x000001BE7841F910, 32 bytes long.
Data: <TMPDIR=G:\BOINC\> 54 4D 50 44 49 52 3D 47 3A 5C 42 4F 49 4E 43 5C
{1462} normal block at 0x000001BE78426030, 48 bytes long.
Data: <PATH=G:\BOINC\DA> 50 41 54 48 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41
..\api\boinc_api.cpp(309) : {1449} normal block at 0x000001BE784257B0, 8 bytes long.
Data: < >x > 00 00 3E 78 BE 01 00 00
{301} normal block at 0x000001BE78425760, 8 bytes long.
Data: <0fBx > 30 66 42 78 BE 01 00 00
{292} normal block at 0x000001BE78415DC0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{291} normal block at 0x000001BE784256C0, 16 bytes long.
Data: <(]Bx > 28 5D 42 78 BE 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001BE78425940, 16 bytes long.
Data: < ]Bx > 00 5D 42 78 BE 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001BE7841F070, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{288} normal block at 0x000001BE78425120, 16 bytes long.
Data: < \Bx > D8 5C 42 78 BE 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001BE78425710, 16 bytes long.
Data: < \Bx > B0 5C 42 78 BE 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001BE78424F90, 16 bytes long.
Data: < \Bx > 88 5C 42 78 BE 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001BE78425620, 16 bytes long.
Data: <`\Bx > 60 5C 42 78 BE 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001BE784263B0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{283} normal block at 0x000001BE784255D0, 16 bytes long.
Data: <( Ax > 28 8E 41 78 BE 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001BE7841F370, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{281} normal block at 0x000001BE78425580, 16 bytes long.
Data: < Ax > 00 8E 41 78 BE 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001BE78424FE0, 16 bytes long.
Data: < Ax > D8 8D 41 78 BE 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001BE78425490, 16 bytes long.
Data: < Ax > B0 8D 41 78 BE 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001BE78424E50, 16 bytes long.
Data: < Ax > 88 8D 41 78 BE 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001BE78424AE0, 16 bytes long.
Data: <` Ax > 60 8D 41 78 BE 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001BE78424A90, 16 bytes long.
Data: <8 Ax > 38 8D 41 78 BE 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001BE7841EE30, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{273} normal block at 0x000001BE78425170, 16 bytes long.
Data: < Ax > 10 8D 41 78 BE 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001BE78418D10, 320 bytes long.
Data: <pQBx 0 Ax > 70 51 42 78 BE 01 00 00 30 EE 41 78 BE 01 00 00
{271} normal block at 0x000001BE784250D0, 16 bytes long.
Data: <@\Bx > 40 5C 42 78 BE 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001BE78424DB0, 16 bytes long.
Data: < \Bx > 18 5C 42 78 BE 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001BE7841EDD0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{268} normal block at 0x000001BE78424E00, 16 bytes long.
Data: < [Bx > F0 5B 42 78 BE 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001BE7841F9D0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{266} normal block at 0x000001BE78424A40, 16 bytes long.
Data: <8[Bx > 38 5B 42 78 BE 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001BE78424B30, 16 bytes long.
Data: < [Bx > 10 5B 42 78 BE 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001BE78424D60, 16 bytes long.
Data: < ZBx > E8 5A 42 78 BE 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001BE78425440, 16 bytes long.
Data: < ZBx > C0 5A 42 78 BE 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001BE784251C0, 16 bytes long.
Data: < ZBx > 98 5A 42 78 BE 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001BE78424CC0, 16 bytes long.
Data: <pZBx > 70 5A 42 78 BE 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001BE78424D10, 16 bytes long.
Data: <@ @x > 40 D7 40 78 BE 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001BE7840D740, 40 bytes long.
Data: < MBx 0`Bx > 10 4D 42 78 BE 01 00 00 30 60 42 78 BE 01 00 00
{257} normal block at 0x000001BE78425670, 16 bytes long.
Data: <PZBx > 50 5A 42 78 BE 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001BE78424C70, 16 bytes long.
Data: <(ZBx > 28 5A 42 78 BE 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001BE7841EC50, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{254} normal block at 0x000001BE78424EF0, 16 bytes long.
Data: < ZBx > 00 5A 42 78 BE 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000001BE78425A00, 992 bytes long.
Data: < NBx P Ax > F0 4E 42 78 BE 01 00 00 50 EC 41 78 BE 01 00 00
{89} normal block at 0x000001BE7841F4F0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{88} normal block at 0x000001BE7841D250, 16 bytes long.
Data: < @x > F0 D2 40 78 BE 01 00 00 00 00 00 00 00 00 00 00
{87} normal block at 0x000001BE7840D2F0, 40 bytes long.
Data: <P Ax Ax > 50 D2 41 78 BE 01 00 00 F0 F4 41 78 BE 01 00 00
{66} normal block at 0x000001BE7841D200, 16 bytes long.
Data: < > 80 EA 87 EF F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001BE7841CF80, 16 bytes long.
Data: <@ > 40 E9 87 EF F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001BE7841D390, 16 bytes long.
Data: < W > F8 57 84 EF F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001BE7841CFD0, 16 bytes long.
Data: < W > D8 57 84 EF F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001BE7841DE80, 16 bytes long.
Data: <P > 50 04 84 EF F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001BE7841D1B0, 16 bytes long.
Data: <0 > 30 04 84 EF F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001BE7841D4D0, 16 bytes long.
Data: < > E0 02 84 EF F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001BE7841DE30, 16 bytes long.
Data: < > 10 04 84 EF F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001BE7841DCA0, 16 bytes long.
Data: <p > 70 04 84 EF F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000001BE7841DA20, 16 bytes long.
Data: < > 18 C0 82 EF F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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