Task 38665655

Name test_309-GPUGRID_TEST_ATM_40STEP_20261023-10-40-RND1013_0
Workunit 31608731
Created 25 Oct 2026, 1:22:09 UTC
Sent 25 Oct 2026, 1:29:35 UTC
Report deadline 30 Oct 2026, 1:29:35 UTC
Received 25 Oct 2026, 4:31:48 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 632067
Run time 2 hours 0 min 34 sec
CPU time 1 hours 56 min 13 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 4,333.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 712.98 MB
Peak swap size 8.39 GB
Peak disk usage 4.21 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
21:33:47 (25892): wrapper (7.9.26016): starting
21:33:47 (25892): 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
21:33:48 (25892): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:33:48 (25892): 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.
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
23:31:20 (25892): C:/Windows/system32/cmd.exe exited; CPU time 6973.843750
23:31:20 (25892): 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: 128321279 bytes.
Dumping objects ->
{3835438} normal block at 0x000001BF7B35D220, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835427} normal block at 0x000001BF795F57A0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835416} normal block at 0x000001BF795F5730, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835405} normal block at 0x000001BF795F5110, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835394} normal block at 0x000001BF795F52D0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835363} normal block at 0x000001BF7B3A5D60, 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) : {3835350} normal block at 0x000001BF795F08B0, 8 bytes long.
 Data: <  &#176;y&#191;   > 00 00 B0 79 BF 01 00 00 
{3833965} normal block at 0x000001BF795F06D0, 8 bytes long.
 Data: < &#249;]y&#191;   > 90 F9 5D 79 BF 01 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000001BF795E68A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001BF795E7A90, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x000001BF795F6340, 16 bytes long.
 Data: < o_y&#191;           > 98 6F 5F 79 BF 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001BF795F68E0, 16 bytes long.
 Data: <po_y&#191;           > 70 6F 5F 79 BF 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001BF795EF400, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x000001BF795F6160, 16 bytes long.
 Data: <Ho_y&#191;           > 48 6F 5F 79 BF 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001BF795F5E90, 16 bytes long.
 Data: < o_y&#191;           > 20 6F 5F 79 BF 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001BF795F6480, 16 bytes long.
 Data: <&#248;n_y&#191;           > F8 6E 5F 79 BF 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001BF795F64D0, 16 bytes long.
 Data: <&#208;n_y&#191;           > D0 6E 5F 79 BF 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001BF795F5340, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x000001BF795F60C0, 16 bytes long.
 Data: < &#189;]y&#191;           > 98 BD 5D 79 BF 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001BF795EF0A0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x000001BF795F6750, 16 bytes long.
 Data: <p&#189;]y&#191;           > 70 BD 5D 79 BF 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001BF795F6020, 16 bytes long.
 Data: <H&#189;]y&#191;           > 48 BD 5D 79 BF 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001BF795F61B0, 16 bytes long.
 Data: < &#189;]y&#191;           > 20 BD 5D 79 BF 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001BF795F5CB0, 16 bytes long.
 Data: <&#248;&#188;]y&#191;           > F8 BC 5D 79 BF 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001BF795F67F0, 16 bytes long.
 Data: <&#208;&#188;]y&#191;           > D0 BC 5D 79 BF 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001BF795F62F0, 16 bytes long.
 Data: <&#168;&#188;]y&#191;           > A8 BC 5D 79 BF 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001BF795EF040, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x000001BF795F6C00, 16 bytes long.
 Data: < &#188;]y&#191;           > 80 BC 5D 79 BF 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001BF795DBC80, 320 bytes long.
 Data: < l_y&#191;   @&#240;^y&#191;   > 00 6C 5F 79 BF 01 00 00 40 F0 5E 79 BF 01 00 00 
{278} normal block at 0x000001BF795F6430, 16 bytes long.
 Data: <&#176;n_y&#191;           > B0 6E 5F 79 BF 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001BF795F6200, 16 bytes long.
 Data: < n_y&#191;           > 88 6E 5F 79 BF 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001BF795EF280, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x000001BF795F62A0, 16 bytes long.
 Data: <`n_y&#191;           > 60 6E 5F 79 BF 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001BF795EF580, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x000001BF795F6890, 16 bytes long.
 Data: <&#168;m_y&#191;           > A8 6D 5F 79 BF 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001BF795F65C0, 16 bytes long.
 Data: < m_y&#191;           > 80 6D 5F 79 BF 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001BF795F5E40, 16 bytes long.
 Data: <Xm_y&#191;           > 58 6D 5F 79 BF 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001BF795F6250, 16 bytes long.
 Data: <0m_y&#191;           > 30 6D 5F 79 BF 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001BF795F5DF0, 16 bytes long.
 Data: < m_y&#191;           > 08 6D 5F 79 BF 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001BF795F6700, 16 bytes long.
 Data: <&#224;l_y&#191;           > E0 6C 5F 79 BF 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001BF795F5F80, 16 bytes long.
 Data: <&#240;Q_y&#191;           > F0 51 5F 79 BF 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001BF795F51F0, 40 bytes long.
 Data: < __y&#191;   `]:{&#191;   > 80 5F 5F 79 BF 01 00 00 60 5D 3A 7B BF 01 00 00 
{264} normal block at 0x000001BF795F67A0, 16 bytes long.
 Data: <&#192;l_y&#191;           > C0 6C 5F 79 BF 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001BF795F5FD0, 16 bytes long.
 Data: < l_y&#191;           > 98 6C 5F 79 BF 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001BF795EEE00, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x000001BF795F6070, 16 bytes long.
 Data: <pl_y&#191;           > 70 6C 5F 79 BF 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001BF795F6C70, 992 bytes long.
 Data: <p`_y&#191;    &#238;^y&#191;   > 70 60 5F 79 BF 01 00 00 00 EE 5E 79 BF 01 00 00 
{96} normal block at 0x000001BF795EE8C0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x000001BF795F0720, 16 bytes long.
 Data: <&#160;&#201;]y&#191;           > A0 C9 5D 79 BF 01 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x000001BF795DC9A0, 40 bytes long.
 Data: <  _y&#191;   &#192;&#232;^y&#191;   > 20 07 5F 79 BF 01 00 00 C0 E8 5E 79 BF 01 00 00 
{73} normal block at 0x000001BF795F1120, 16 bytes long.
 Data: < &#234;# &#246;           > 80 EA 23 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001BF795F0860, 16 bytes long.
 Data: <@&#233;# &#246;           > 40 E9 23 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001BF795F0680, 16 bytes long.
 Data: <&#248;W  &#246;           > F8 57 20 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001BF795F0D10, 16 bytes long.
 Data: <&#216;W  &#246;           > D8 57 20 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001BF795F0D60, 16 bytes long.
 Data: <P   &#246;           > 50 04 20 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001BF795F0B80, 16 bytes long.
 Data: <0   &#246;           > 30 04 20 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001BF795F0900, 16 bytes long.
 Data: <&#224;   &#246;           > E0 02 20 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001BF795F0BD0, 16 bytes long.
 Data: <    &#246;           > 10 04 20 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001BF795F0FE0, 16 bytes long.
 Data: <p   &#246;           > 70 04 20 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001BF795F0770, 16 bytes long.
 Data: < &#192;  &#246;           > 18 C0 1E 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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