Task 38683226
| Name | test_306-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND6290_0 |
| Workunit | 31624803 |
| Created | 27 Oct 2026, 10:58:59 UTC |
| Sent | 27 Oct 2026, 10:59:01 UTC |
| Report deadline | 1 Nov 2026, 10:59:01 UTC |
| Received | 27 Oct 2026, 15:11:55 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 645746 |
| Run time | 43 min 22 sec |
| CPU time | 37 min 40 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 12,741.16 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 697.52 MB |
| Peak swap size | 8.37 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
07:00:33 (17336): wrapper (7.9.26016): starting
07:00:33 (17336): 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
07:00:34 (17336): Library/usr/bin/tar.exe exited; CPU time 0.015625
07:00:34 (17336): 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\17\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\17\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
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835100} normal block at 0x00000000005EFCF0, 8 bytes long.
Data: < W > 00 00 57 00 00 00 00 00
..\lib\diagnostics_win.cpp(417) : {3833950} normal block at 0x000000000061A280, 1080 bytes long.
Data: < T > CC 54 00 00 CD CD CD CD 90 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x00000000005F13E0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
11:09:53 (15432): wrapper (7.9.26016): starting
11:09:53 (15432): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\17\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
11:11:22 (15432): C:/Windows/system32/cmd.exe exited; CPU time 54.609375
11:11:22 (15432): 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: 1255471 bytes.
Dumping objects ->
{1538} normal block at 0x0000000000445C80, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1527} normal block at 0x0000000000445D60, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1516} normal block at 0x0000000000446230, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1505} normal block at 0x0000000000445B30, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1494} normal block at 0x00000000004460E0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1463} normal block at 0x00000000004319A0, 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) : {1450} normal block at 0x0000000000447020, 8 bytes long.
Data: < > 00 00 DE 00 00 00 00 00
{301} normal block at 0x0000000000447570, 8 bytes long.
Data: < wD > 20 77 44 00 00 00 00 00
{292} normal block at 0x0000000000430680, 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 0x00000000004472A0, 16 bytes long.
Data: < fD > 18 66 44 00 00 00 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000000000446A80, 16 bytes long.
Data: < eD > F0 65 44 00 00 00 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000000004417E0, 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 0x0000000000446990, 16 bytes long.
Data: < eD > C8 65 44 00 00 00 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000000000446A30, 16 bytes long.
Data: < eD > A0 65 44 00 00 00 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000000000446940, 16 bytes long.
Data: <xeD > 78 65 44 00 00 00 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000000000447520, 16 bytes long.
Data: <PeD > 50 65 44 00 00 00 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000000000445C10, 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 0x0000000000446B70, 16 bytes long.
Data: < C > A8 15 43 00 00 00 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000000000440BE0, 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 0x00000000004476B0, 16 bytes long.
Data: < C > 80 15 43 00 00 00 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000000000446B20, 16 bytes long.
Data: <X C > 58 15 43 00 00 00 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000000004468F0, 16 bytes long.
Data: <0 C > 30 15 43 00 00 00 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000000000446DF0, 16 bytes long.
Data: < C > 08 15 43 00 00 00 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000000000446F80, 16 bytes long.
Data: < C > E0 14 43 00 00 00 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000000000446800, 16 bytes long.
Data: < C > B8 14 43 00 00 00 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000000000441A20, 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 0x0000000000446AD0, 16 bytes long.
Data: < C > 90 14 43 00 00 00 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000000000431490, 320 bytes long.
Data: < jD D > D0 6A 44 00 00 00 00 00 20 1A 44 00 00 00 00 00
{271} normal block at 0x0000000000446BC0, 16 bytes long.
Data: <0eD > 30 65 44 00 00 00 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000000000446FD0, 16 bytes long.
Data: < eD > 08 65 44 00 00 00 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000000000440EE0, 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 0x0000000000447480, 16 bytes long.
Data: < dD > E0 64 44 00 00 00 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000000000440E80, 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 0x00000000004467B0, 16 bytes long.
Data: <(dD > 28 64 44 00 00 00 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000000004473E0, 16 bytes long.
Data: < dD > 00 64 44 00 00 00 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000000000446CB0, 16 bytes long.
Data: < cD > D8 63 44 00 00 00 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000000004474D0, 16 bytes long.
Data: < cD > B0 63 44 00 00 00 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000000000446DA0, 16 bytes long.
Data: < cD > 88 63 44 00 00 00 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000000000440060, 16 bytes long.
Data: <`cD > 60 63 44 00 00 00 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000000000043FB10, 16 bytes long.
Data: < \D > F0 5C 44 00 00 00 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000000000445CF0, 40 bytes long.
Data: < C C > 10 FB 43 00 00 00 00 00 A0 19 43 00 00 00 00 00
{257} normal block at 0x0000000000440A10, 16 bytes long.
Data: <@cD > 40 63 44 00 00 00 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000000000043FCA0, 16 bytes long.
Data: < cD > 18 63 44 00 00 00 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x0000000000440E20, 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 0x00000000004405B0, 16 bytes long.
Data: < bD > F0 62 44 00 00 00 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x00000000004462F0, 992 bytes long.
Data: < D D > B0 05 44 00 00 00 00 00 20 0E 44 00 00 00 00 00
{89} normal block at 0x0000000000440FA0, 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 0x00000000004406F0, 16 bytes long.
Data: < B > 20 C2 42 00 00 00 00 00 00 00 00 00 00 00 00 00
{87} normal block at 0x000000000042C220, 40 bytes long.
Data: < D D > F0 06 44 00 00 00 00 00 A0 0F 44 00 00 00 00 00
{66} normal block at 0x0000000000440A60, 16 bytes long.
Data: < Wf > 80 EA 57 66 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000000004402E0, 16 bytes long.
Data: <@ Wf > 40 E9 57 66 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000000000043FC00, 16 bytes long.
Data: < WTf > F8 57 54 66 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000000000440790, 16 bytes long.
Data: < WTf > D8 57 54 66 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000000000440560, 16 bytes long.
Data: <P Tf > 50 04 54 66 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000000000440970, 16 bytes long.
Data: <0 Tf > 30 04 54 66 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000000000043FDE0, 16 bytes long.
Data: < Tf > E0 02 54 66 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000000000440380, 16 bytes long.
Data: < Tf > 10 04 54 66 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000000000043FB60, 16 bytes long.
Data: <p Tf > 70 04 54 66 F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x00000000004406A0, 16 bytes long.
Data: < Rf > 18 C0 52 66 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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