Task 38675107

Name test_639-GPUGRID_TEST_ATM_40STEP_20261023-25-40-RND5935_0
Workunit 31617105
Created 26 Oct 2026, 7:16:52 UTC
Sent 26 Oct 2026, 7:17:00 UTC
Report deadline 31 Oct 2026, 7:17:00 UTC
Received 26 Oct 2026, 9:43:47 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 549940
Run time 48 min 18 sec
CPU time 46 min 40 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,073.70 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 680.93 MB
Peak swap size 5.26 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
01:56:45 (7788): wrapper (7.9.26016): starting
01:56:45 (7788): 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
01:56:47 (7788): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:56:47 (7788): 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 'E:\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 'E:\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
02:43:11 (7788): C:/Windows/system32/cmd.exe exited; CPU time 2800.718750
02:43:11 (7788): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 32380267 bytes.
Dumping objects ->
{3835223} normal block at 0x000001529A2A1620, 48 bytes long.
 Data: <PATH=E:\ProgramD> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835212} normal block at 0x000001529A2A15B0, 48 bytes long.
 Data: <HOME=E:\ProgramD> 48 4F 4D 45 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835201} normal block at 0x000001529A2A1540, 48 bytes long.
 Data: <TMP=E:\ProgramDa> 54 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835190} normal block at 0x000001529A2A11C0, 48 bytes long.
 Data: <TEMP=E:\ProgramD> 54 45 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835179} normal block at 0x000001529A2A12A0, 48 bytes long.
 Data: <TMPDIR=E:\Progra> 54 4D 50 44 49 52 3D 45 3A 5C 50 72 6F 67 72 61 
{3835148} normal block at 0x000001529BF22590, 64 bytes long.
 Data: <PATH=E:\ProgramD> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835137} normal block at 0x000001529BE3E9B0, 160 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) : {3835134} normal block at 0x000001529A296680, 8 bytes long.
 Data: <  &#205;&#155;R   > 00 00 CD 9B 52 01 00 00 
{3834539} normal block at 0x000001529BE3EC50, 160 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833953} normal block at 0x000001529A297300, 8 bytes long.
 Data: <&#208;&#189;&#243;&#155;R   > D0 BD F3 9B 52 01 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000001529A29FFE0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001529A285DB0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{292} normal block at 0x000001529A2A1AB0, 16 bytes long.
 Data: <x;*&#154;R           > 78 3B 2A 9A 52 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001529A2A2640, 16 bytes long.
 Data: <P;*&#154;R           > 50 3B 2A 9A 52 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001529A29D900, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{289} normal block at 0x000001529A2A1A10, 16 bytes long.
 Data: <(;*&#154;R           > 28 3B 2A 9A 52 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001529A2A1EC0, 16 bytes long.
 Data: < ;*&#154;R           > 00 3B 2A 9A 52 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001529A2A2460, 16 bytes long.
 Data: <&#216;:*&#154;R           > D8 3A 2A 9A 52 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001529A2A2730, 16 bytes long.
 Data: <&#176;:*&#154;R           > B0 3A 2A 9A 52 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001529A2A10E0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{284} normal block at 0x000001529A2A2550, 16 bytes long.
 Data: <H](&#154;R           > 48 5D 28 9A 52 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001529A29CE20, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{282} normal block at 0x000001529A2A2410, 16 bytes long.
 Data: < ](&#154;R           > 20 5D 28 9A 52 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001529A2A25A0, 16 bytes long.
 Data: <&#248;\(&#154;R           > F8 5C 28 9A 52 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001529A2A1D80, 16 bytes long.
 Data: <&#208;\(&#154;R           > D0 5C 28 9A 52 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001529A2A19C0, 16 bytes long.
 Data: <&#168;\(&#154;R           > A8 5C 28 9A 52 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001529A2A1BA0, 16 bytes long.
 Data: < \(&#154;R           > 80 5C 28 9A 52 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001529A2A2690, 16 bytes long.
 Data: <X\(&#154;R           > 58 5C 28 9A 52 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001529A29D120, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{274} normal block at 0x000001529A2A27D0, 16 bytes long.
 Data: <0\(&#154;R           > 30 5C 28 9A 52 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001529A285C30, 320 bytes long.
 Data: <&#208;'*&#154;R    &#209;)&#154;R   > D0 27 2A 9A 52 01 00 00 20 D1 29 9A 52 01 00 00 
{272} normal block at 0x000001529A2A23C0, 16 bytes long.
 Data: < :*&#154;R           > 90 3A 2A 9A 52 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001529A2A1970, 16 bytes long.
 Data: <h:*&#154;R           > 68 3A 2A 9A 52 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001529A29D360, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{269} normal block at 0x000001529A2A22D0, 16 bytes long.
 Data: <@:*&#154;R           > 40 3A 2A 9A 52 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001529A29D540, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{267} normal block at 0x000001529A2A2280, 16 bytes long.
 Data: < 9*&#154;R           > 88 39 2A 9A 52 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001529A2A2500, 16 bytes long.
 Data: <`9*&#154;R           > 60 39 2A 9A 52 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001529A2A1B50, 16 bytes long.
 Data: <89*&#154;R           > 38 39 2A 9A 52 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001529A2A2230, 16 bytes long.
 Data: < 9*&#154;R           > 10 39 2A 9A 52 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001529A2A18D0, 16 bytes long.
 Data: <&#232;8*&#154;R           > E8 38 2A 9A 52 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001529A2A25F0, 16 bytes long.
 Data: <&#192;8*&#154;R           > C0 38 2A 9A 52 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001529A2A2050, 16 bytes long.
 Data: <p *&#154;R           > 70 10 2A 9A 52 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001529A2A1070, 40 bytes long.
 Data: <P *&#154;R    %&#242;&#155;R   > 50 20 2A 9A 52 01 00 00 90 25 F2 9B 52 01 00 00 
{258} normal block at 0x000001529A2A2140, 16 bytes long.
 Data: <&#160;8*&#154;R           > A0 38 2A 9A 52 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001529A2A2000, 16 bytes long.
 Data: <x8*&#154;R           > 78 38 2A 9A 52 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001529A29D780, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{255} normal block at 0x000001529A2A2320, 16 bytes long.
 Data: <P8*&#154;R           > 50 38 2A 9A 52 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001529A2A3850, 992 bytes long.
 Data: < #*&#154;R    &#215;)&#154;R   > 20 23 2A 9A 52 01 00 00 80 D7 29 9A 52 01 00 00 
{90} normal block at 0x000001529A29D0C0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{89} normal block at 0x000001529A296540, 16 bytes long.
 Data: <  *&#154;R           > 00 17 2A 9A 52 01 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x000001529A2A1700, 40 bytes long.
 Data: <@e)&#154;R   &#192;&#208;)&#154;R   > 40 65 29 9A 52 01 00 00 C0 D0 29 9A 52 01 00 00 
{67} normal block at 0x000001529A297210, 16 bytes long.
 Data: < &#234; P&#246;           > 80 EA 8D 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001529A297170, 16 bytes long.
 Data: <@&#233; P&#246;           > 40 E9 8D 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001529A296A40, 16 bytes long.
 Data: <&#248;W&#138;P&#246;           > F8 57 8A 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001529A296C20, 16 bytes long.
 Data: <&#216;W&#138;P&#246;           > D8 57 8A 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001529A2969F0, 16 bytes long.
 Data: <P &#138;P&#246;           > 50 04 8A 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001529A296F40, 16 bytes long.
 Data: <0 &#138;P&#246;           > 30 04 8A 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001529A2970D0, 16 bytes long.
 Data: <&#224; &#138;P&#246;           > E0 02 8A 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001529A296EF0, 16 bytes long.
 Data: <  &#138;P&#246;           > 10 04 8A 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001529A297260, 16 bytes long.
 Data: <p &#138;P&#246;           > 70 04 8A 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001529A2972B0, 16 bytes long.
 Data: < &#192; P&#246;           > 18 C0 88 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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