Task 38673873

Name test_632-GPUGRID_TEST_ATM_40STEP_20261023-24-40-RND3671_0
Workunit 31615933
Created 26 Oct 2026, 3:40:36 UTC
Sent 26 Oct 2026, 3:40:42 UTC
Report deadline 31 Oct 2026, 3:40:42 UTC
Received 26 Oct 2026, 4:31:53 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 517637
Run time 46 min 42 sec
CPU time 46 min 42 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 5,030.17 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 717.74 MB
Peak swap size 9.74 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
04:43:06 (13764): wrapper (7.9.26016): starting
04:43:06 (13764): 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
04:43:07 (13764): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:43:07 (13764): 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\22\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\22\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: Exiting with failure status due to previous errors
05:30:14 (13764): C:/Windows/system32/cmd.exe exited; CPU time 2802.640625
05:30:14 (13764): 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: 48354745 bytes.
Dumping objects ->
{3835363} normal block at 0x000001FAD3E9D650, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835352} normal block at 0x000001FAD3E9D490, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835341} normal block at 0x000001FAD2134850, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835330} normal block at 0x000001FAD2134930, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835319} normal block at 0x000001FAD21348C0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835288} normal block at 0x000001FAD3EEB280, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835277} normal block at 0x000001FAD3EFE5D0, 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) : {3835274} normal block at 0x000001FAD212F620, 8 bytes long.
 Data: <  a&#210;&#250;   > 00 00 61 D2 FA 01 00 00 
{3834606} normal block at 0x000001FAD3EFE520, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833965} normal block at 0x000001FAD212E9F0, 8 bytes long.
 Data: <0&#233; &#210;&#250;   > 30 E9 20 D2 FA 01 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000001FAD2130A60, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001FAD211E7C0, 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 0x000001FAD21354F0, 16 bytes long.
 Data: <&#248;e &#210;&#250;           > F8 65 13 D2 FA 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001FAD2135860, 16 bytes long.
 Data: <&#208;e &#210;&#250;           > D0 65 13 D2 FA 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001FAD212FDD0, 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 0x000001FAD21359A0, 16 bytes long.
 Data: <&#168;e &#210;&#250;           > A8 65 13 D2 FA 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001FAD2135590, 16 bytes long.
 Data: < e &#210;&#250;           > 80 65 13 D2 FA 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001FAD2135D10, 16 bytes long.
 Data: <Xe &#210;&#250;           > 58 65 13 D2 FA 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001FAD2135360, 16 bytes long.
 Data: <0e &#210;&#250;           > 30 65 13 D2 FA 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001FAD2134A80, 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 0x000001FAD2135E50, 16 bytes long.
 Data: <X  &#210;&#250;           > 58 03 12 D2 FA 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001FAD21300D0, 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 0x000001FAD2135950, 16 bytes long.
 Data: <0  &#210;&#250;           > 30 03 12 D2 FA 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001FAD21361C0, 16 bytes long.
 Data: <   &#210;&#250;           > 08 03 12 D2 FA 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001FAD21357C0, 16 bytes long.
 Data: <&#224;  &#210;&#250;           > E0 02 12 D2 FA 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001FAD2135770, 16 bytes long.
 Data: <&#184;  &#210;&#250;           > B8 02 12 D2 FA 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001FAD21353B0, 16 bytes long.
 Data: <   &#210;&#250;           > 90 02 12 D2 FA 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001FAD2135A40, 16 bytes long.
 Data: <h  &#210;&#250;           > 68 02 12 D2 FA 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001FAD212FC50, 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 0x000001FAD2135310, 16 bytes long.
 Data: <@  &#210;&#250;           > 40 02 12 D2 FA 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001FAD2120240, 320 bytes long.
 Data: < S &#210;&#250;   P&#252; &#210;&#250;   > 10 53 13 D2 FA 01 00 00 50 FC 12 D2 FA 01 00 00 
{278} normal block at 0x000001FAD21355E0, 16 bytes long.
 Data: < e &#210;&#250;           > 10 65 13 D2 FA 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001FAD2136120, 16 bytes long.
 Data: <&#232;d &#210;&#250;           > E8 64 13 D2 FA 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001FAD212FBF0, 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 0x000001FAD2136260, 16 bytes long.
 Data: <&#192;d &#210;&#250;           > C0 64 13 D2 FA 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001FAD2130370, 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 0x000001FAD2135F90, 16 bytes long.
 Data: < d &#210;&#250;           > 08 64 13 D2 FA 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001FAD21360D0, 16 bytes long.
 Data: <&#224;c &#210;&#250;           > E0 63 13 D2 FA 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001FAD2135BD0, 16 bytes long.
 Data: <&#184;c &#210;&#250;           > B8 63 13 D2 FA 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001FAD2135AE0, 16 bytes long.
 Data: < c &#210;&#250;           > 90 63 13 D2 FA 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001FAD21354A0, 16 bytes long.
 Data: <hc &#210;&#250;           > 68 63 13 D2 FA 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001FAD2136080, 16 bytes long.
 Data: <@c &#210;&#250;           > 40 63 13 D2 FA 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001FAD2136170, 16 bytes long.
 Data: < G &#210;&#250;           > 00 47 13 D2 FA 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001FAD2134700, 40 bytes long.
 Data: <pa &#210;&#250;    &#178;&#238;&#211;&#250;   > 70 61 13 D2 FA 01 00 00 80 B2 EE D3 FA 01 00 00 
{264} normal block at 0x000001FAD2135720, 16 bytes long.
 Data: < c &#210;&#250;           > 20 63 13 D2 FA 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001FAD2135CC0, 16 bytes long.
 Data: <&#248;b &#210;&#250;           > F8 62 13 D2 FA 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001FAD2130610, 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 0x000001FAD21356D0, 16 bytes long.
 Data: <&#208;b &#210;&#250;           > D0 62 13 D2 FA 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001FAD21362D0, 992 bytes long.
 Data: <&#208;V &#210;&#250;      &#210;&#250;   > D0 56 13 D2 FA 01 00 00 10 06 13 D2 FA 01 00 00 
{96} normal block at 0x000001FAD2130010, 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 0x000001FAD212F260, 16 bytes long.
 Data: <@&#245; &#210;&#250;           > 40 F5 11 D2 FA 01 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x000001FAD211F540, 40 bytes long.
 Data: <`&#242; &#210;&#250;      &#210;&#250;   > 60 F2 12 D2 FA 01 00 00 10 00 13 D2 FA 01 00 00 
{73} normal block at 0x000001FAD212EDB0, 16 bytes long.
 Data: < &#234;&#217;*&#246;           > 80 EA D9 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001FAD212EEF0, 16 bytes long.
 Data: <@&#233;&#217;*&#246;           > 40 E9 D9 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001FAD212EC20, 16 bytes long.
 Data: <&#248;W&#214;*&#246;           > F8 57 D6 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001FAD212F030, 16 bytes long.
 Data: <&#216;W&#214;*&#246;           > D8 57 D6 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001FAD212EBD0, 16 bytes long.
 Data: <P &#214;*&#246;           > 50 04 D6 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001FAD212F3F0, 16 bytes long.
 Data: <0 &#214;*&#246;           > 30 04 D6 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001FAD212F490, 16 bytes long.
 Data: <&#224; &#214;*&#246;           > E0 02 D6 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001FAD212EA40, 16 bytes long.
 Data: <  &#214;*&#246;           > 10 04 D6 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001FAD212EE50, 16 bytes long.
 Data: <p &#214;*&#246;           > 70 04 D6 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001FAD212EB80, 16 bytes long.
 Data: < &#192;&#212;*&#246;           > 18 C0 D4 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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