Task 38687839

Name test_731-GPUGRID_TEST_ATM_40STEP_20261023-35-40-RND6957_0
Workunit 31629214
Created 28 Oct 2026, 10:05:38 UTC
Sent 28 Oct 2026, 10:05:42 UTC
Report deadline 2 Nov 2026, 10:05:42 UTC
Received 28 Oct 2026, 10:35:01 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648197
Run time 28 min 45 sec
CPU time 24 min 35 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 19,587.62 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 731.38 MB
Peak swap size 5.38 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
11:06:16 (16920): wrapper (7.9.26016): starting
11:06:16 (16920): 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
11:06:17 (16920): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:06:17 (16920): 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\11\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\11\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
11:33:59 (16920): C:/Windows/system32/cmd.exe exited; CPU time 1475.609375
11:33:59 (16920): 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: 22378063 bytes.
Dumping objects ->
{3835282} normal block at 0x000001BCA65FDED0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835271} normal block at 0x000001BCA65FE170, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835260} normal block at 0x000001BCA4984C30, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835249} normal block at 0x000001BCA4984BC0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835238} normal block at 0x000001BCA4984B50, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835207} normal block at 0x000001BCA6646330, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835196} normal block at 0x000001BCA665F3C0, 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) : {3835193} normal block at 0x000001BCA497F0E0, 8 bytes long.
 Data: <  &#218;&#164;&#188;   > 00 00 DA A4 BC 01 00 00 
{3834569} normal block at 0x000001BCA665F470, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x000001BCA497EDC0, 8 bytes long.
 Data: < >j&#166;&#188;   > 80 3E 6A A6 BC 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001BCA497D450, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001BCA49768E0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x000001BCA49861C0, 16 bytes long.
 Data: <&#168;j &#164;&#188;           > A8 6A 98 A4 BC 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001BCA4985F90, 16 bytes long.
 Data: < j &#164;&#188;           > 80 6A 98 A4 BC 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001BCA497FE60, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x000001BCA4986170, 16 bytes long.
 Data: <Xj &#164;&#188;           > 58 6A 98 A4 BC 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001BCA4985B80, 16 bytes long.
 Data: <0j &#164;&#188;           > 30 6A 98 A4 BC 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001BCA4985F40, 16 bytes long.
 Data: < j &#164;&#188;           > 08 6A 98 A4 BC 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001BCA49860D0, 16 bytes long.
 Data: <&#224;i &#164;&#188;           > E0 69 98 A4 BC 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001BCA4984F40, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x000001BCA4986080, 16 bytes long.
 Data: <8&#244;&#150;&#164;&#188;           > 38 F4 96 A4 BC 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001BCA4980760, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x000001BCA4986350, 16 bytes long.
 Data: < &#244;&#150;&#164;&#188;           > 10 F4 96 A4 BC 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001BCA4986030, 16 bytes long.
 Data: <&#232;&#243;&#150;&#164;&#188;           > E8 F3 96 A4 BC 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001BCA4985DB0, 16 bytes long.
 Data: <&#192;&#243;&#150;&#164;&#188;           > C0 F3 96 A4 BC 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001BCA4985EF0, 16 bytes long.
 Data: < &#243;&#150;&#164;&#188;           > 98 F3 96 A4 BC 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001BCA49866C0, 16 bytes long.
 Data: <p&#243;&#150;&#164;&#188;           > 70 F3 96 A4 BC 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001BCA4985E00, 16 bytes long.
 Data: <H&#243;&#150;&#164;&#188;           > 48 F3 96 A4 BC 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001BCA497FD40, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x000001BCA4985D60, 16 bytes long.
 Data: < &#243;&#150;&#164;&#188;           > 20 F3 96 A4 BC 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001BCA496F320, 320 bytes long.
 Data: <`] &#164;&#188;   @&#253;&#151;&#164;&#188;   > 60 5D 98 A4 BC 01 00 00 40 FD 97 A4 BC 01 00 00 
{276} normal block at 0x000001BCA4985EA0, 16 bytes long.
 Data: <&#192;i &#164;&#188;           > C0 69 98 A4 BC 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001BCA4986670, 16 bytes long.
 Data: < i &#164;&#188;           > 98 69 98 A4 BC 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001BCA4980940, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x000001BCA49863A0, 16 bytes long.
 Data: <pi &#164;&#188;           > 70 69 98 A4 BC 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001BCA49807C0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x000001BCA49865D0, 16 bytes long.
 Data: <&#184;h &#164;&#188;           > B8 68 98 A4 BC 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001BCA4985E50, 16 bytes long.
 Data: < h &#164;&#188;           > 90 68 98 A4 BC 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001BCA4985C70, 16 bytes long.
 Data: <hh &#164;&#188;           > 68 68 98 A4 BC 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001BCA4985D10, 16 bytes long.
 Data: <@h &#164;&#188;           > 40 68 98 A4 BC 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001BCA4985B30, 16 bytes long.
 Data: < h &#164;&#188;           > 18 68 98 A4 BC 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001BCA4985C20, 16 bytes long.
 Data: <&#240;g &#164;&#188;           > F0 67 98 A4 BC 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001BCA4986530, 16 bytes long.
 Data: <&#160;L &#164;&#188;           > A0 4C 98 A4 BC 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001BCA4984CA0, 40 bytes long.
 Data: <0e &#164;&#188;   0cd&#166;&#188;   > 30 65 98 A4 BC 01 00 00 30 63 64 A6 BC 01 00 00 
{262} normal block at 0x000001BCA4986120, 16 bytes long.
 Data: <&#208;g &#164;&#188;           > D0 67 98 A4 BC 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001BCA4986620, 16 bytes long.
 Data: <&#168;g &#164;&#188;           > A8 67 98 A4 BC 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001BCA497FE00, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x000001BCA4986300, 16 bytes long.
 Data: < g &#164;&#188;           > 80 67 98 A4 BC 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001BCA4986780, 992 bytes long.
 Data: < c &#164;&#188;    &#254;&#151;&#164;&#188;   > 00 63 98 A4 BC 01 00 00 00 FE 97 A4 BC 01 00 00 
{94} normal block at 0x000001BCA4980100, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x000001BCA497F630, 16 bytes long.
 Data: <@&#212;&#150;&#164;&#188;           > 40 D4 96 A4 BC 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001BCA496D440, 40 bytes long.
 Data: <0&#246;&#151;&#164;&#188;      &#164;&#188;   > 30 F6 97 A4 BC 01 00 00 00 01 98 A4 BC 01 00 00 
{71} normal block at 0x000001BCA497EFA0, 16 bytes long.
 Data: < &#234;  &#246;           > 80 EA BD B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001BCA497EF00, 16 bytes long.
 Data: <@&#233;  &#246;           > 40 E9 BD B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001BCA497FA40, 16 bytes long.
 Data: <&#248;W&#186; &#246;           > F8 57 BA B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001BCA497EEB0, 16 bytes long.
 Data: <&#216;W&#186; &#246;           > D8 57 BA B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001BCA497F9A0, 16 bytes long.
 Data: <P &#186; &#246;           > 50 04 BA B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001BCA497ED70, 16 bytes long.
 Data: <0 &#186; &#246;           > 30 04 BA B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001BCA497F810, 16 bytes long.
 Data: <&#224; &#186; &#246;           > E0 02 BA B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001BCA497EC30, 16 bytes long.
 Data: <  &#186; &#246;           > 10 04 BA B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001BCA497F770, 16 bytes long.
 Data: <p &#186; &#246;           > 70 04 BA B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001BCA497F3B0, 16 bytes long.
 Data: < &#192;&#184; &#246;           > 18 C0 B8 B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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