Task 38678922

Name test_967-GPUGRID_TEST_ATM_40STEP_20261023-24-40-RND6457_0
Workunit 31620725
Created 26 Oct 2026, 18:55:05 UTC
Sent 26 Oct 2026, 18:55:13 UTC
Report deadline 31 Oct 2026, 18:55:13 UTC
Received 26 Oct 2026, 19:22:35 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648578
Run time 25 min 9 sec
CPU time 23 min 41 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 20,163.62 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 735.38 MB
Peak swap size 6.89 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:57:05 (14276): wrapper (7.9.26016): starting
19:57:05 (14276): 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
19:57:06 (14276): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:57:06 (14276): 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\1\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\1\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
20:21:26 (14276): C:/Windows/system32/cmd.exe exited; CPU time 1421.750000
20:21:26 (14276): called boinc_finish(0)
0 bytes in 0 Free Blocks.
422 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: 20894322 bytes.
Dumping objects ->
{3835554} normal block at 0x000001F5E82748D0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835543} normal block at 0x000001F5E6615E50, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835532} normal block at 0x000001F5E6615D70, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835521} normal block at 0x000001F5E6616320, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835510} normal block at 0x000001F5E6615D00, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835479} normal block at 0x000001F5E81E6AB0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835468} normal block at 0x000001F5E6606A70, 83 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) : {3835465} normal block at 0x000001F5E660EE00, 8 bytes long.
 Data: <  Z&#230;&#245;   > 00 00 5A E6 F5 01 00 00 
{3834684} normal block at 0x000001F5E6606B90, 83 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x000001F5E660EF40, 8 bytes long.
 Data: <0J$&#232;&#245;   > 30 4A 24 E8 F5 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001F5E6610A10, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001F5E6606200, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x000001F5E6616F70, 16 bytes long.
 Data: < wa&#230;&#245;           > 18 77 61 E6 F5 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001F5E6616F20, 16 bytes long.
 Data: <&#240;va&#230;&#245;           > F0 76 61 E6 F5 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001F5E660FE00, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x000001F5E6616570, 16 bytes long.
 Data: <&#200;va&#230;&#245;           > C8 76 61 E6 F5 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001F5E66170B0, 16 bytes long.
 Data: <&#160;va&#230;&#245;           > A0 76 61 E6 F5 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001F5E6617290, 16 bytes long.
 Data: <xva&#230;&#245;           > 78 76 61 E6 F5 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001F5E6616CF0, 16 bytes long.
 Data: <Pva&#230;&#245;           > 50 76 61 E6 F5 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001F5E6615DE0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x000001F5E6617150, 16 bytes long.
 Data: <H&#231;`&#230;&#245;           > 48 E7 60 E6 F5 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001F5E6610220, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x000001F5E6616610, 16 bytes long.
 Data: < &#231;`&#230;&#245;           > 20 E7 60 E6 F5 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001F5E6616A20, 16 bytes long.
 Data: <&#248;&#230;`&#230;&#245;           > F8 E6 60 E6 F5 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001F5E66167F0, 16 bytes long.
 Data: <&#208;&#230;`&#230;&#245;           > D0 E6 60 E6 F5 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001F5E6616E30, 16 bytes long.
 Data: <&#168;&#230;`&#230;&#245;           > A8 E6 60 E6 F5 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001F5E6616CA0, 16 bytes long.
 Data: < &#230;`&#230;&#245;           > 80 E6 60 E6 F5 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001F5E66169D0, 16 bytes long.
 Data: <X&#230;`&#230;&#245;           > 58 E6 60 E6 F5 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001F5E660F980, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x000001F5E6617060, 16 bytes long.
 Data: <0&#230;`&#230;&#245;           > 30 E6 60 E6 F5 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001F5E660E630, 320 bytes long.
 Data: <`pa&#230;&#245;    &#249;`&#230;&#245;   > 60 70 61 E6 F5 01 00 00 80 F9 60 E6 F5 01 00 00 
{274} normal block at 0x000001F5E6617240, 16 bytes long.
 Data: <0va&#230;&#245;           > 30 76 61 E6 F5 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001F5E6616C50, 16 bytes long.
 Data: < va&#230;&#245;           > 08 76 61 E6 F5 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001F5E660FCE0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x000001F5E6617100, 16 bytes long.
 Data: <&#224;ua&#230;&#245;           > E0 75 61 E6 F5 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001F5E66101C0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x000001F5E66165C0, 16 bytes long.
 Data: <(ua&#230;&#245;           > 28 75 61 E6 F5 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001F5E6616FC0, 16 bytes long.
 Data: < ua&#230;&#245;           > 00 75 61 E6 F5 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001F5E6616B60, 16 bytes long.
 Data: <&#216;ta&#230;&#245;           > D8 74 61 E6 F5 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001F5E6616ED0, 16 bytes long.
 Data: <&#176;ta&#230;&#245;           > B0 74 61 E6 F5 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001F5E66172E0, 16 bytes long.
 Data: < ta&#230;&#245;           > 88 74 61 E6 F5 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001F5E6617380, 16 bytes long.
 Data: <`ta&#230;&#245;           > 60 74 61 E6 F5 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001F5E6616B10, 16 bytes long.
 Data: <0_a&#230;&#245;           > 30 5F 61 E6 F5 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001F5E6615F30, 40 bytes long.
 Data: < ka&#230;&#245;   &#176;j &#232;&#245;   > 10 6B 61 E6 F5 01 00 00 B0 6A 1E E8 F5 01 00 00 
{260} normal block at 0x000001F5E6616430, 16 bytes long.
 Data: <@ta&#230;&#245;           > 40 74 61 E6 F5 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001F5E6616DE0, 16 bytes long.
 Data: < ta&#230;&#245;           > 18 74 61 E6 F5 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001F5E66104C0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x000001F5E6616E80, 16 bytes long.
 Data: <&#240;sa&#230;&#245;           > F0 73 61 E6 F5 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001F5E66173F0, 992 bytes long.
 Data: < na&#230;&#245;   &#192; a&#230;&#245;   > 80 6E 61 E6 F5 01 00 00 C0 04 61 E6 F5 01 00 00 
{92} normal block at 0x000001F5E6610460, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x000001F5E660ECC0, 16 bytes long.
 Data: < &#240;_&#230;&#245;           > 20 F0 5F E6 F5 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000001F5E65FF020, 40 bytes long.
 Data: <&#192;&#236;`&#230;&#245;   ` a&#230;&#245;   > C0 EC 60 E6 F5 01 00 00 60 04 61 E6 F5 01 00 00 
{69} normal block at 0x000001F5E660E9F0, 16 bytes long.
 Data: < &#234;Y &#247;           > 80 EA 59 03 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001F5E660F440, 16 bytes long.
 Data: <@&#233;Y &#247;           > 40 E9 59 03 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001F5E660F670, 16 bytes long.
 Data: <&#248;WV &#247;           > F8 57 56 03 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001F5E660F620, 16 bytes long.
 Data: <&#216;WV &#247;           > D8 57 56 03 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001F5E660F5D0, 16 bytes long.
 Data: <P V &#247;           > 50 04 56 03 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001F5E660F080, 16 bytes long.
 Data: <0 V &#247;           > 30 04 56 03 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001F5E660EA90, 16 bytes long.
 Data: <&#224; V &#247;           > E0 02 56 03 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001F5E660F580, 16 bytes long.
 Data: <  V &#247;           > 10 04 56 03 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001F5E660F300, 16 bytes long.
 Data: <p V &#247;           > 70 04 56 03 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001F5E660F530, 16 bytes long.
 Data: < &#192;T &#247;           > 18 C0 54 03 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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