Task 38649804

Name test_659-GPUGRID_TEST_ATM_4STEP_20261023-2-4-RND1662_0
Workunit 31594380
Created 23 Oct 2026, 22:07:53 UTC
Sent 23 Oct 2026, 23:01:06 UTC
Report deadline 28 Oct 2026, 23:01:06 UTC
Received 23 Oct 2026, 23:40:59 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 642350
Run time 30 min 30 sec
CPU time 28 min 35 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 16,408.10 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 724.85 MB
Peak swap size 9.88 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:11:19 (352584): wrapper (7.9.26016): starting
18:11:19 (352584): 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
18:11:20 (352584): Library/usr/bin/tar.exe exited; CPU time 0.046875
18:11:20 (352584): 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
18:40:36 (352584): C:/Windows/system32/cmd.exe exited; CPU time 1715.484375
18:40:36 (352584): 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: 38491673 bytes.
Dumping objects ->
{3835248} normal block at 0x0000025F6E40A950, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835237} normal block at 0x0000025F6E40B440, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835226} normal block at 0x0000025F6E40AD40, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835215} normal block at 0x0000025F6E40A8E0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835204} normal block at 0x0000025F6E40B3D0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835173} normal block at 0x0000025F7034E2C0, 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) : {3835160} normal block at 0x0000025F6E40D8C0, 8 bytes long.
 Data: <  &#162;n_   > 00 00 A2 6E 5F 02 00 00 
{3833959} normal block at 0x0000025F6E40DFA0, 8 bytes long.
 Data: < cFn_   > 00 63 46 6E 5F 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000025F6E3EA720, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000025F6E3EC570, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x0000025F6E40D9B0, 16 bytes long.
 Data: <8&#186;@n_           > 38 BA 40 6E 5F 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000025F6E40D960, 16 bytes long.
 Data: < &#186;@n_           > 10 BA 40 6E 5F 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000025F6E40E290, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x0000025F6E40D0A0, 16 bytes long.
 Data: <&#232;&#185;@n_           > E8 B9 40 6E 5F 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000025F6E40DAF0, 16 bytes long.
 Data: <&#192;&#185;@n_           > C0 B9 40 6E 5F 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000025F6E40D320, 16 bytes long.
 Data: < &#185;@n_           > 98 B9 40 6E 5F 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000025F6E40DBE0, 16 bytes long.
 Data: <p&#185;@n_           > 70 B9 40 6E 5F 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000025F6E404980, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x0000025F6E40DF50, 16 bytes long.
 Data: <xk@n_           > 78 6B 40 6E 5F 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000025F6E40ECB0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x0000025F6E40DF00, 16 bytes long.
 Data: <Pk@n_           > 50 6B 40 6E 5F 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000025F6E40D910, 16 bytes long.
 Data: <(k@n_           > 28 6B 40 6E 5F 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000025F6E40DEB0, 16 bytes long.
 Data: < k@n_           > 00 6B 40 6E 5F 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000025F6E40D230, 16 bytes long.
 Data: <&#216;j@n_           > D8 6A 40 6E 5F 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000025F6E40D500, 16 bytes long.
 Data: <&#176;j@n_           > B0 6A 40 6E 5F 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000025F6E40D550, 16 bytes long.
 Data: < j@n_           > 88 6A 40 6E 5F 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000025F6E40E410, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x0000025F6E40D7D0, 16 bytes long.
 Data: <`j@n_           > 60 6A 40 6E 5F 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000025F6E406A60, 320 bytes long.
 Data: <&#208;&#215;@n_    &#228;@n_   > D0 D7 40 6E 5F 02 00 00 10 E4 40 6E 5F 02 00 00 
{275} normal block at 0x0000025F6E40DE60, 16 bytes long.
 Data: <P&#185;@n_           > 50 B9 40 6E 5F 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000025F6E40DE10, 16 bytes long.
 Data: <(&#185;@n_           > 28 B9 40 6E 5F 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000025F6E40E590, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x0000025F6E40D460, 16 bytes long.
 Data: < &#185;@n_           > 00 B9 40 6E 5F 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000025F6E40E7D0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x0000025F6E40D410, 16 bytes long.
 Data: <H&#184;@n_           > 48 B8 40 6E 5F 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000025F6E40D2D0, 16 bytes long.
 Data: < &#184;@n_           > 20 B8 40 6E 5F 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000025F6E40DDC0, 16 bytes long.
 Data: <&#248;&#183;@n_           > F8 B7 40 6E 5F 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000025F6E40DD70, 16 bytes long.
 Data: <&#208;&#183;@n_           > D0 B7 40 6E 5F 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000025F6E40D780, 16 bytes long.
 Data: <&#168;&#183;@n_           > A8 B7 40 6E 5F 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000025F6E40D640, 16 bytes long.
 Data: < &#183;@n_           > 80 B7 40 6E 5F 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000025F6E40D870, 16 bytes long.
 Data: <&#192;G@n_           > C0 47 40 6E 5F 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000025F6E4047C0, 40 bytes long.
 Data: <p&#216;@n_   &#192;&#226;4p_   > 70 D8 40 6E 5F 02 00 00 C0 E2 34 70 5F 02 00 00 
{261} normal block at 0x0000025F6E40DD20, 16 bytes long.
 Data: <`&#183;@n_           > 60 B7 40 6E 5F 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000025F6E40D1E0, 16 bytes long.
 Data: <8&#183;@n_           > 38 B7 40 6E 5F 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000025F6E3F3680, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x0000025F6E40DC80, 16 bytes long.
 Data: < &#183;@n_           > 10 B7 40 6E 5F 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000025F6E40B710, 992 bytes long.
 Data: < &#220;@n_    6?n_   > 80 DC 40 6E 5F 02 00 00 80 36 3F 6E 5F 02 00 00 
{93} normal block at 0x0000025F6E3F34A0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x0000025F6E3F9710, 16 bytes long.
 Data: <PG@n_           > 50 47 40 6E 5F 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x0000025F6E404750, 40 bytes long.
 Data: < &#151;?n_   &#160;4?n_   > 10 97 3F 6E 5F 02 00 00 A0 34 3F 6E 5F 02 00 00 
{70} normal block at 0x0000025F6E3F9760, 16 bytes long.
 Data: < &#234;&#255;&#154;&#246;           > 80 EA FF 9A F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000025F6E3F9670, 16 bytes long.
 Data: <@&#233;&#255;&#154;&#246;           > 40 E9 FF 9A F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000025F6E3F9620, 16 bytes long.
 Data: <&#248;W&#252;&#154;&#246;           > F8 57 FC 9A F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000025F6E3F95D0, 16 bytes long.
 Data: <&#216;W&#252;&#154;&#246;           > D8 57 FC 9A F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000025F6E3F8FE0, 16 bytes long.
 Data: <P &#252;&#154;&#246;           > 50 04 FC 9A F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000025F6E3F9B20, 16 bytes long.
 Data: <0 &#252;&#154;&#246;           > 30 04 FC 9A F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000025F6E3F9850, 16 bytes long.
 Data: <&#224; &#252;&#154;&#246;           > E0 02 FC 9A F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000025F6E3F8F40, 16 bytes long.
 Data: <  &#252;&#154;&#246;           > 10 04 FC 9A F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000025F6E3F9990, 16 bytes long.
 Data: <p &#252;&#154;&#246;           > 70 04 FC 9A F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000025F6E3F8EF0, 16 bytes long.
 Data: < &#192;&#250;&#154;&#246;           > 18 C0 FA 9A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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