Task 38685847
| Name | test_800-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND1041_0 |
| Workunit | 31627301 |
| Created | 27 Oct 2026, 23:14:31 UTC |
| Sent | 27 Oct 2026, 23:14:32 UTC |
| Report deadline | 1 Nov 2026, 23:14:32 UTC |
| Received | 28 Oct 2026, 0:39:06 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 642945 |
| Run time | 44 min 31 sec |
| CPU time | 41 min 36 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 12,848.68 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 676.18 MB |
| Peak swap size | 5.35 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:28:17 (74620): wrapper (7.9.26016): starting
08:28:17 (74620): 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
08:28:18 (74620): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:28:18 (74620): 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\14\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\14\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) : {3835275} normal block at 0x0000022F91D5E6C0, 8 bytes long.
Data: < / > 00 00 D3 91 2F 02 00 00
..\lib\diagnostics_win.cpp(417) : {3834072} normal block at 0x0000022F91D65AD0, 1080 bytes long.
Data: < > D8 FF 00 00 CD CD CD CD 08 03 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000022F91D62550, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
08:55:56 (93168): wrapper (7.9.26016): starting
08:55:56 (93168): 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\14\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
09:38:19 (93168): C:/Windows/system32/cmd.exe exited; CPU time 2428.171875
09:38:19 (93168): 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: 66120623 bytes.
Dumping objects ->
{1600} normal block at 0x000001BEAB204490, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1589} normal block at 0x000001BEAB204340, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1578} normal block at 0x000001BEAB2049D0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1567} normal block at 0x000001BEAB204960, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1556} normal block at 0x000001BEAB2042D0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1525} normal block at 0x000001BEAB1EBBC0, 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) : {1512} normal block at 0x000001BEAB206120, 8 bytes long.
Data: < > 00 00 1D AB BE 01 00 00
{310} normal block at 0x000001BEAB206DF0, 8 bytes long.
Data: < Z > F0 5A 20 AB BE 01 00 00
{301} normal block at 0x000001BEAB1F6EE0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{300} normal block at 0x000001BEAB2060D0, 16 bytes long.
Data: < s > B8 73 20 AB BE 01 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000001BEAB2066C0, 16 bytes long.
Data: < s > 90 73 20 AB BE 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001BEAB200360, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{297} normal block at 0x000001BEAB206490, 16 bytes long.
Data: <hs > 68 73 20 AB BE 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001BEAB206E90, 16 bytes long.
Data: <@s > 40 73 20 AB BE 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001BEAB206C60, 16 bytes long.
Data: < s > 18 73 20 AB BE 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001BEAB206E40, 16 bytes long.
Data: < r > F0 72 20 AB BE 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001BEAB2048F0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{292} normal block at 0x000001BEAB206260, 16 bytes long.
Data: < > E8 98 1F AB BE 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001BEAB1FFF40, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{290} normal block at 0x000001BEAB206BC0, 16 bytes long.
Data: < > C0 98 1F AB BE 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001BEAB2069E0, 16 bytes long.
Data: < > 98 98 1F AB BE 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001BEAB206C10, 16 bytes long.
Data: <p > 70 98 1F AB BE 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001BEAB206990, 16 bytes long.
Data: <H > 48 98 1F AB BE 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001BEAB206D00, 16 bytes long.
Data: < > 20 98 1F AB BE 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001BEAB206B20, 16 bytes long.
Data: < > F8 97 1F AB BE 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001BEAB2006C0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{282} normal block at 0x000001BEAB2061C0, 16 bytes long.
Data: < > D0 97 1F AB BE 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001BEAB1F97D0, 320 bytes long.
Data: < a > C0 61 20 AB BE 01 00 00 C0 06 20 AB BE 01 00 00
{280} normal block at 0x000001BEAB206CB0, 16 bytes long.
Data: < r > D0 72 20 AB BE 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001BEAB2063F0, 16 bytes long.
Data: < r > A8 72 20 AB BE 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001BEAB2004E0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{277} normal block at 0x000001BEAB206940, 16 bytes long.
Data: < r > 80 72 20 AB BE 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001BEAB2003C0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{275} normal block at 0x000001BEAB2068F0, 16 bytes long.
Data: < q > C8 71 20 AB BE 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001BEAB206710, 16 bytes long.
Data: < q > A0 71 20 AB BE 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001BEAB206A80, 16 bytes long.
Data: <xq > 78 71 20 AB BE 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001BEAB206D50, 16 bytes long.
Data: <Pq > 50 71 20 AB BE 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001BEAB206DA0, 16 bytes long.
Data: <(q > 28 71 20 AB BE 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001BEAB206EE0, 16 bytes long.
Data: < q > 00 71 20 AB BE 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001BEAB206170, 16 bytes long.
Data: <PF > 50 46 20 AB BE 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001BEAB204650, 40 bytes long.
Data: <pa > 70 61 20 AB BE 01 00 00 C0 BB 1E AB BE 01 00 00
{266} normal block at 0x000001BEAB206440, 16 bytes long.
Data: < p > E0 70 20 AB BE 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001BEAB206850, 16 bytes long.
Data: < p > B8 70 20 AB BE 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001BEAB1FFB80, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{263} normal block at 0x000001BEAB2065D0, 16 bytes long.
Data: < p > 90 70 20 AB BE 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001BEAB207090, 992 bytes long.
Data: < e > D0 65 20 AB BE 01 00 00 80 FB 1F AB BE 01 00 00
{98} normal block at 0x000001BEAB200780, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{97} normal block at 0x000001BEAB1FE030, 16 bytes long.
Data: < H > 80 48 20 AB BE 01 00 00 00 00 00 00 00 00 00 00
{96} normal block at 0x000001BEAB204880, 40 bytes long.
Data: <0 > 30 E0 1F AB BE 01 00 00 80 07 20 AB BE 01 00 00
{73} normal block at 0x000001BEAB1FE990, 16 bytes long.
Data: < D > 80 EA 44 DD F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001BEAB1FDE00, 16 bytes long.
Data: <@ D > 40 E9 44 DD F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001BEAB1FE1C0, 16 bytes long.
Data: < WA > F8 57 41 DD F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001BEAB1FDA40, 16 bytes long.
Data: < WA > D8 57 41 DD F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001BEAB1FE850, 16 bytes long.
Data: <P A > 50 04 41 DD F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001BEAB1FDE50, 16 bytes long.
Data: <0 A > 30 04 41 DD F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001BEAB1FE5D0, 16 bytes long.
Data: < A > E0 02 41 DD F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001BEAB1FDC70, 16 bytes long.
Data: < A > 10 04 41 DD F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001BEAB1FDF40, 16 bytes long.
Data: <p A > 70 04 41 DD F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001BEAB1FE260, 16 bytes long.
Data: < ? > 18 C0 3F DD F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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