Task 38684490

Name test_185-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND9325_0
Workunit 31626002
Created 27 Oct 2026, 16:37:34 UTC
Sent 27 Oct 2026, 16:37:39 UTC
Report deadline 1 Nov 2026, 16:37:39 UTC
Received 27 Oct 2026, 17:03:54 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 637164
Run time 25 min 46 sec
CPU time 24 min 44 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,356.59 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 793.88 MB
Peak swap size 25.12 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
11:38:54 (30180): wrapper (7.9.26016): starting
11:38:54 (30180): 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
11:38:55 (30180): Library/usr/bin/tar.exe exited; CPU time 0.015625
11:38:55 (30180): 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\89\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\89\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
12:03:34 (30180): C:/Windows/system32/cmd.exe exited; CPU time 1484.437500
12:03:34 (30180): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 bytes in 8 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: 41447113 bytes.
Dumping objects ->
{3835321} normal block at 0x000001D1C50F4020, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835310} normal block at 0x000001D1C50F45D0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835299} normal block at 0x000001D1C50F4AA0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835288} normal block at 0x000001D1C50F4090, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835277} normal block at 0x000001D1C50F4B80, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835246} normal block at 0x000001D1C501D300, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835235} normal block at 0x000001D1C507ED60, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {3835232} normal block at 0x000001D1C3190200, 8 bytes long.
 Data: <   &#195;&#209;   > 00 00 16 C3 D1 01 00 00 
{3834580} normal block at 0x000001D1C507F020, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833963} normal block at 0x000001D1C3190480, 8 bytes long.
 Data: <&#176;R &#197;&#209;   > B0 52 0C C5 D1 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001D1C3186500, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001D1C3187520, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x000001D1C31961A0, 16 bytes long.
 Data: <Hi &#195;&#209;           > 48 69 19 C3 D1 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001D1C3195890, 16 bytes long.
 Data: < i &#195;&#209;           > 20 69 19 C3 D1 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001D1C31909C0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x000001D1C3195700, 16 bytes long.
 Data: <&#248;h &#195;&#209;           > F8 68 19 C3 D1 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001D1C31956B0, 16 bytes long.
 Data: <&#208;h &#195;&#209;           > D0 68 19 C3 D1 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001D1C3195CA0, 16 bytes long.
 Data: <&#168;h &#195;&#209;           > A8 68 19 C3 D1 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001D1C3196150, 16 bytes long.
 Data: < h &#195;&#209;           > 80 68 19 C3 D1 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001D1C3193850, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x000001D1C3195F70, 16 bytes long.
 Data: <x&#250; &#195;&#209;           > 78 FA 17 C3 D1 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001D1C3190E40, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x000001D1C3196380, 16 bytes long.
 Data: <P&#250; &#195;&#209;           > 50 FA 17 C3 D1 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001D1C3195930, 16 bytes long.
 Data: <(&#250; &#195;&#209;           > 28 FA 17 C3 D1 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001D1C3195840, 16 bytes long.
 Data: < &#250; &#195;&#209;           > 00 FA 17 C3 D1 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001D1C3195BB0, 16 bytes long.
 Data: <&#216;&#249; &#195;&#209;           > D8 F9 17 C3 D1 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001D1C3195E80, 16 bytes long.
 Data: <&#176;&#249; &#195;&#209;           > B0 F9 17 C3 D1 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001D1C3195660, 16 bytes long.
 Data: < &#249; &#195;&#209;           > 88 F9 17 C3 D1 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001D1C3190A80, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x000001D1C3195F20, 16 bytes long.
 Data: <`&#249; &#195;&#209;           > 60 F9 17 C3 D1 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001D1C317F960, 320 bytes long.
 Data: < _ &#195;&#209;      &#195;&#209;   > 20 5F 19 C3 D1 01 00 00 80 0A 19 C3 D1 01 00 00 
{277} normal block at 0x000001D1C31965B0, 16 bytes long.
 Data: <`h &#195;&#209;           > 60 68 19 C3 D1 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001D1C3195D90, 16 bytes long.
 Data: <8h &#195;&#209;           > 38 68 19 C3 D1 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001D1C3190F60, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x000001D1C3195DE0, 16 bytes long.
 Data: < h &#195;&#209;           > 10 68 19 C3 D1 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001D1C3190DE0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x000001D1C31963D0, 16 bytes long.
 Data: <Xg &#195;&#209;           > 58 67 19 C3 D1 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001D1C3195FC0, 16 bytes long.
 Data: <0g &#195;&#209;           > 30 67 19 C3 D1 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001D1C3195A70, 16 bytes long.
 Data: < g &#195;&#209;           > 08 67 19 C3 D1 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001D1C3195ED0, 16 bytes long.
 Data: <&#224;f &#195;&#209;           > E0 66 19 C3 D1 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001D1C31959D0, 16 bytes long.
 Data: <&#184;f &#195;&#209;           > B8 66 19 C3 D1 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001D1C3196510, 16 bytes long.
 Data: < f &#195;&#209;           > 90 66 19 C3 D1 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001D1C3196560, 16 bytes long.
 Data: <@< &#195;&#209;           > 40 3C 19 C3 D1 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001D1C3193C40, 40 bytes long.
 Data: <`e &#195;&#209;    &#211; &#197;&#209;   > 60 65 19 C3 D1 01 00 00 00 D3 01 C5 D1 01 00 00 
{263} normal block at 0x000001D1C3195D40, 16 bytes long.
 Data: <pf &#195;&#209;           > 70 66 19 C3 D1 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001D1C31958E0, 16 bytes long.
 Data: <Hf &#195;&#209;           > 48 66 19 C3 D1 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001D1C3191080, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x000001D1C31957F0, 16 bytes long.
 Data: < f &#195;&#209;           > 20 66 19 C3 D1 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001D1C3196620, 992 bytes long.
 Data: <&#240;W &#195;&#209;      &#195;&#209;   > F0 57 19 C3 D1 01 00 00 80 10 19 C3 D1 01 00 00 
{95} normal block at 0x000001D1C3190D80, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x000001D1C318FC60, 16 bytes long.
 Data: <`; &#195;&#209;           > 60 3B 19 C3 D1 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000001D1C3193B60, 40 bytes long.
 Data: <`&#252; &#195;&#209;      &#195;&#209;   > 60 FC 18 C3 D1 01 00 00 80 0D 19 C3 D1 01 00 00 
{72} normal block at 0x000001D1C318FDA0, 16 bytes long.
 Data: < &#234;&#215;t&#246;           > 80 EA D7 74 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001D1C3190610, 16 bytes long.
 Data: <@&#233;&#215;t&#246;           > 40 E9 D7 74 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001D1C3190110, 16 bytes long.
 Data: <&#248;W&#212;t&#246;           > F8 57 D4 74 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001D1C318FBC0, 16 bytes long.
 Data: <&#216;W&#212;t&#246;           > D8 57 D4 74 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001D1C318FAD0, 16 bytes long.
 Data: <P &#212;t&#246;           > 50 04 D4 74 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001D1C318FE40, 16 bytes long.
 Data: <0 &#212;t&#246;           > 30 04 D4 74 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001D1C31900C0, 16 bytes long.
 Data: <&#224; &#212;t&#246;           > E0 02 D4 74 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001D1C318F8F0, 16 bytes long.
 Data: <  &#212;t&#246;           > 10 04 D4 74 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001D1C318F9E0, 16 bytes long.
 Data: <p &#212;t&#246;           > 70 04 D4 74 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001D1C31901B0, 16 bytes long.
 Data: < &#192;&#210;t&#246;           > 18 C0 D2 74 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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