Task 38686332
| Name | test_330-GPUGRID_TEST_ATM_40STEP_20261023-35-40-RND7725_0 |
| Workunit | 31627767 |
| Created | 28 Oct 2026, 2:01:16 UTC |
| Sent | 28 Oct 2026, 2:01:26 UTC |
| Report deadline | 2 Nov 2026, 2:01:26 UTC |
| Received | 28 Oct 2026, 3:52:35 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 631520 |
| Run time | 36 min 17 sec |
| CPU time | 33 min 55 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 6,608.41 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 694.16 MB |
| Peak swap size | 5.25 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:07:02 (27188): wrapper (7.9.26016): starting
11:07:02 (27188): 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
11:07:03 (27188): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:07:03 (27188): 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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835180} normal block at 0x000001D69BFC0F40, 8 bytes long.
Data: < O > 00 00 4F 9C D6 01 00 00
..\lib\diagnostics_win.cpp(417) : {3834036} normal block at 0x000001D69DBFE3B0, 1080 bytes long.
Data: < ] > D0 5D 00 00 CD CD CD CD BC 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000001D69BFB64D0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
12:32:55 (25468): wrapper (7.9.26016): starting
12:32:55 (25468): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
ƒTƒuƒfƒBƒŒƒNƒgƒŠ‚Ü‚½‚̓tƒ@ƒCƒ‹ C:\ProgramData\BOINC\slots\0\tmp ‚ÍŠù‚É‘¶Ý‚µ‚Ü‚·B
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
12:40:38 (25468): C:/Windows/system32/cmd.exe exited; CPU time 435.937500
12:40:38 (25468): 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: 8399074 bytes.
Dumping objects ->
{1532} normal block at 0x000001D7856746A0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1521} normal block at 0x000001D785674B00, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1510} normal block at 0x000001D7856748D0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1499} normal block at 0x000001D785674940, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1488} normal block at 0x000001D7856747F0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1457} normal block at 0x000001D78565FC20, 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) : {1444} normal block at 0x000001D785675CC0, 8 bytes long.
Data: < > 00 00 AA 85 D7 01 00 00
{301} normal block at 0x000001D7856754F0, 8 bytes long.
Data: < eg > B0 65 67 85 D7 01 00 00
{292} normal block at 0x000001D785667B20, 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 0x000001D785675680, 16 bytes long.
Data: < dg > B8 64 67 85 D7 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001D7856754A0, 16 bytes long.
Data: < dg > 90 64 67 85 D7 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001D78566F670, 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 0x000001D785675950, 16 bytes long.
Data: <hdg > 68 64 67 85 D7 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001D7856752C0, 16 bytes long.
Data: <@dg > 40 64 67 85 D7 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001D785675400, 16 bytes long.
Data: < dg > 18 64 67 85 D7 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001D785675D60, 16 bytes long.
Data: < cg > F0 63 67 85 D7 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001D785674A90, 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 0x000001D785675270, 16 bytes long.
Data: < e > E8 EF 65 85 D7 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001D785670090, 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 0x000001D785675900, 16 bytes long.
Data: < e > C0 EF 65 85 D7 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001D7856753B0, 16 bytes long.
Data: < e > 98 EF 65 85 D7 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001D785675E50, 16 bytes long.
Data: <p e > 70 EF 65 85 D7 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001D785675630, 16 bytes long.
Data: <H e > 48 EF 65 85 D7 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001D785675860, 16 bytes long.
Data: < e > 20 EF 65 85 D7 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001D785675220, 16 bytes long.
Data: < e > F8 EE 65 85 D7 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001D78566FB50, 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 0x000001D785675360, 16 bytes long.
Data: < e > D0 EE 65 85 D7 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001D78565EED0, 320 bytes long.
Data: <`Sg P f > 60 53 67 85 D7 01 00 00 50 FB 66 85 D7 01 00 00
{271} normal block at 0x000001D7856751D0, 16 bytes long.
Data: < cg > D0 63 67 85 D7 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001D7856755E0, 16 bytes long.
Data: < cg > A8 63 67 85 D7 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001D78566FF10, 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 0x000001D785675D10, 16 bytes long.
Data: < cg > 80 63 67 85 D7 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001D78566FD90, 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 0x000001D7856758B0, 16 bytes long.
Data: < bg > C8 62 67 85 D7 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001D785675590, 16 bytes long.
Data: < bg > A0 62 67 85 D7 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001D785675E00, 16 bytes long.
Data: <xbg > 78 62 67 85 D7 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001D785675F40, 16 bytes long.
Data: <Pbg > 50 62 67 85 D7 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001D785675C70, 16 bytes long.
Data: <(bg > 28 62 67 85 D7 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001D7856757C0, 16 bytes long.
Data: < bg > 00 62 67 85 D7 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001D7856760D0, 16 bytes long.
Data: < Jg > 20 4A 67 85 D7 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001D785674A20, 40 bytes long.
Data: < `g e > D0 60 67 85 D7 01 00 00 20 FC 65 85 D7 01 00 00
{257} normal block at 0x000001D785675810, 16 bytes long.
Data: < ag > E0 61 67 85 D7 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001D785675770, 16 bytes long.
Data: < ag > B8 61 67 85 D7 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001D78566FCD0, 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 0x000001D785675720, 16 bytes long.
Data: < ag > 90 61 67 85 D7 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000001D785676190, 992 bytes long.
Data: < Wg f > 20 57 67 85 D7 01 00 00 D0 FC 66 85 D7 01 00 00
{89} normal block at 0x000001D78566FD30, 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 0x000001D785670A70, 16 bytes long.
Data: < e > A0 C2 65 85 D7 01 00 00 00 00 00 00 00 00 00 00
{87} normal block at 0x000001D78565C2A0, 40 bytes long.
Data: <p g 0 f > 70 0A 67 85 D7 01 00 00 30 FD 66 85 D7 01 00 00
{64} normal block at 0x000001D785670700, 16 bytes long.
Data: < f > 80 EA 66 93 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001D785670A20, 16 bytes long.
Data: <@ f > 40 E9 66 93 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001D7856706B0, 16 bytes long.
Data: < Wc > F8 57 63 93 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001D785670930, 16 bytes long.
Data: < Wc > D8 57 63 93 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001D785670E80, 16 bytes long.
Data: <P c > 50 04 63 93 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001D785670660, 16 bytes long.
Data: <0 c > 30 04 63 93 F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001D785670840, 16 bytes long.
Data: < c > E0 02 63 93 F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000001D785670C50, 16 bytes long.
Data: < c > 10 04 63 93 F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000001D785670890, 16 bytes long.
Data: <p c > 70 04 63 93 F6 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x000001D785670D40, 16 bytes long.
Data: < a > 18 C0 61 93 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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