Task 38684543

Name test_308-GPUGRID_TEST_ATM_40STEP_20261023-37-40-RND3323_0
Workunit 31626054
Created 27 Oct 2026, 16:53:21 UTC
Sent 27 Oct 2026, 16:53:30 UTC
Report deadline 1 Nov 2026, 16:53:30 UTC
Received 27 Oct 2026, 18:58:58 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 478420
Run time 1 hours 2 min 4 sec
CPU time 57 min 10 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 4,571.92 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 669.32 MB
Peak swap size 2.21 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:58:33 (13220): wrapper (7.9.26016): starting
19:58:33 (13220): 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
19:58:36 (13220): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:58:36 (13220): 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\8\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\8\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
20:58:38 (13220): C:/Windows/system32/cmd.exe exited; CPU time 3430.531250
20:58:38 (13220): 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: 55923453 bytes.
Dumping objects ->
{3835257} normal block at 0x00000171D5271640, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835246} normal block at 0x00000171D52711E0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835235} normal block at 0x00000171D5271250, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835224} normal block at 0x00000171D52708B0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835213} normal block at 0x00000171D52714F0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835182} normal block at 0x00000171D53CC6D0, 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) : {3835169} normal block at 0x00000171D3826F40, 8 bytes long.
 Data: <   &#211;q   > 00 00 7F D3 71 01 00 00 
{3833951} normal block at 0x00000171D3826B30, 8 bytes long.
 Data: <&#160;xB&#213;q   > A0 78 42 D5 71 01 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x00000171D3831A00, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000171D381AFB0, 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 0x00000171D38338A0, 16 bytes long.
 Data: <8@&#131;&#211;q           > 38 40 83 D3 71 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000171D3832D10, 16 bytes long.
 Data: < @&#131;&#211;q           > 10 40 83 D3 71 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000171D382C6C0, 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 0x00000171D3833490, 16 bytes long.
 Data: <&#232;?&#131;&#211;q           > E8 3F 83 D3 71 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000171D3833440, 16 bytes long.
 Data: <&#192;?&#131;&#211;q           > C0 3F 83 D3 71 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000171D38329F0, 16 bytes long.
 Data: < ?&#131;&#211;q           > 98 3F 83 D3 71 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000171D38333F0, 16 bytes long.
 Data: <p?&#131;&#211;q           > 70 3F 83 D3 71 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000171D382DAB0, 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 0x00000171D3833260, 16 bytes long.
 Data: <&#248;&#209;&#130;&#211;q           > F8 D1 82 D3 71 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000171D382C240, 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 0x00000171D3832C70, 16 bytes long.
 Data: <&#208;&#209;&#130;&#211;q           > D0 D1 82 D3 71 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000171D3832A40, 16 bytes long.
 Data: <&#168;&#209;&#130;&#211;q           > A8 D1 82 D3 71 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000171D38331C0, 16 bytes long.
 Data: < &#209;&#130;&#211;q           > 80 D1 82 D3 71 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000171D3833080, 16 bytes long.
 Data: <X&#209;&#130;&#211;q           > 58 D1 82 D3 71 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000171D3833030, 16 bytes long.
 Data: <0&#209;&#130;&#211;q           > 30 D1 82 D3 71 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000171D38333A0, 16 bytes long.
 Data: < &#209;&#130;&#211;q           > 08 D1 82 D3 71 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000171D382C540, 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 0x00000171D38337B0, 16 bytes long.
 Data: <&#224;&#208;&#130;&#211;q           > E0 D0 82 D3 71 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000171D382D0E0, 320 bytes long.
 Data: <&#176;7&#131;&#211;q   @&#197;&#130;&#211;q   > B0 37 83 D3 71 01 00 00 40 C5 82 D3 71 01 00 00 
{271} normal block at 0x00000171D3833120, 16 bytes long.
 Data: <P?&#131;&#211;q           > 50 3F 83 D3 71 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000171D3833210, 16 bytes long.
 Data: <(?&#131;&#211;q           > 28 3F 83 D3 71 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000171D382C660, 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 0x00000171D3832E50, 16 bytes long.
 Data: < ?&#131;&#211;q           > 00 3F 83 D3 71 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000171D382C3C0, 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 0x00000171D38330D0, 16 bytes long.
 Data: <H>&#131;&#211;q           > 48 3E 83 D3 71 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000171D3832FE0, 16 bytes long.
 Data: < >&#131;&#211;q           > 20 3E 83 D3 71 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000171D3833710, 16 bytes long.
 Data: <&#248;=&#131;&#211;q           > F8 3D 83 D3 71 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000171D38334E0, 16 bytes long.
 Data: <&#208;=&#131;&#211;q           > D0 3D 83 D3 71 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000171D3832F40, 16 bytes long.
 Data: <&#168;=&#131;&#211;q           > A8 3D 83 D3 71 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000171D3833760, 16 bytes long.
 Data: < =&#131;&#211;q           > 80 3D 83 D3 71 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000171D3832D60, 16 bytes long.
 Data: <&#160;&#215;&#130;&#211;q           > A0 D7 82 D3 71 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000171D382D7A0, 40 bytes long.
 Data: <`-&#131;&#211;q   &#208;&#198;<&#213;q   > 60 2D 83 D3 71 01 00 00 D0 C6 3C D5 71 01 00 00 
{257} normal block at 0x00000171D38336C0, 16 bytes long.
 Data: <`=&#131;&#211;q           > 60 3D 83 D3 71 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000171D3833620, 16 bytes long.
 Data: <8=&#131;&#211;q           > 38 3D 83 D3 71 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000171D382C1E0, 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 0x00000171D3833170, 16 bytes long.
 Data: < =&#131;&#211;q           > 10 3D 83 D3 71 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x00000171D3833D10, 992 bytes long.
 Data: <p1&#131;&#211;q   &#224;&#193;&#130;&#211;q   > 70 31 83 D3 71 01 00 00 E0 C1 82 D3 71 01 00 00 
{89} normal block at 0x00000171D382BE80, 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 0x00000171D3826EF0, 16 bytes long.
 Data: <P&#221;&#130;&#211;q           > 50 DD 82 D3 71 01 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x00000171D382DD50, 40 bytes long.
 Data: <&#240;n&#130;&#211;q    &#190;&#130;&#211;q   > F0 6E 82 D3 71 01 00 00 80 BE 82 D3 71 01 00 00 
{66} normal block at 0x00000171D3826E00, 16 bytes long.
 Data: < &#234; "&#246;           > 80 EA 90 22 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000171D38269F0, 16 bytes long.
 Data: <@&#233; "&#246;           > 40 E9 90 22 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000171D3827850, 16 bytes long.
 Data: <&#248;W "&#246;           > F8 57 8D 22 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000171D38270D0, 16 bytes long.
 Data: <&#216;W "&#246;           > D8 57 8D 22 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000171D3827260, 16 bytes long.
 Data: <P  "&#246;           > 50 04 8D 22 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000171D3827620, 16 bytes long.
 Data: <0  "&#246;           > 30 04 8D 22 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000171D38269A0, 16 bytes long.
 Data: <&#224;  "&#246;           > E0 02 8D 22 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000171D38277B0, 16 bytes long.
 Data: <   "&#246;           > 10 04 8D 22 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000171D3826DB0, 16 bytes long.
 Data: <p  "&#246;           > 70 04 8D 22 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000171D3827300, 16 bytes long.
 Data: < &#192;&#139;"&#246;           > 18 C0 8B 22 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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