Task 38661792

Name test_553-GPUGRID_TEST_ATM_40STEP_20261023-6-40-RND0583_0
Workunit 31605178
Created 24 Oct 2026, 16:20:31 UTC
Sent 24 Oct 2026, 16:28:01 UTC
Report deadline 29 Oct 2026, 16:28:01 UTC
Received 24 Oct 2026, 21:38:22 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 628466
Run time 58 min 15 sec
CPU time 47 min 13 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 49,324.59 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 731.09 MB
Peak swap size 6.99 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
09:29:38 (17636): wrapper (7.9.26016): starting
09:29:38 (17636): 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
09:29:43 (17636): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:29:43 (17636): 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\3\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\3\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
10:30:12 (17636): C:/Windows/system32/cmd.exe exited; CPU time 2833.875000
10:30:12 (17636): 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: 46142285 bytes.
Dumping objects ->
{3835561} normal block at 0x0000021215127EB0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835550} normal block at 0x0000021213414C30, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835539} normal block at 0x0000021213414BC0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835528} normal block at 0x0000021213414B50, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835517} normal block at 0x0000021213414A00, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835486} normal block at 0x0000021215138200, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835475} normal block at 0x000002121514EBF0, 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) : {3835472} normal block at 0x000002121340EBD0, 8 bytes long.
 Data: <  &#135;     > 00 00 87 13 12 02 00 00 
{3834691} normal block at 0x000002121514E1A0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833963} normal block at 0x000002121340F080, 8 bytes long.
 Data: <P5      > 50 35 19 15 12 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000021213411230, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000212133FED20, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x0000021213415A40, 16 bytes long.
 Data: < eA             > 08 65 41 13 12 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000021213415AE0, 16 bytes long.
 Data: <&#224;dA             > E0 64 41 13 12 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000021213410580, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x00000212134155E0, 16 bytes long.
 Data: <&#184;dA             > B8 64 41 13 12 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000212134154A0, 16 bytes long.
 Data: < dA             > 90 64 41 13 12 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000021213415860, 16 bytes long.
 Data: <hdA             > 68 64 41 13 12 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000212134154F0, 16 bytes long.
 Data: <@dA             > 40 64 41 13 12 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000021213414610, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x0000021213415310, 16 bytes long.
 Data: <&#232;&#246;?             > E8 F6 3F 13 12 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002121340F6E0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x0000021213415F40, 16 bytes long.
 Data: <&#192;&#246;?             > C0 F6 3F 13 12 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000021213415C20, 16 bytes long.
 Data: < &#246;?             > 98 F6 3F 13 12 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000021213415220, 16 bytes long.
 Data: <p&#246;?             > 70 F6 3F 13 12 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000021213415D10, 16 bytes long.
 Data: <H&#246;?             > 48 F6 3F 13 12 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000212134159A0, 16 bytes long.
 Data: < &#246;?             > 20 F6 3F 13 12 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000021213415EF0, 16 bytes long.
 Data: <&#248;&#245;?             > F8 F5 3F 13 12 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000212134101C0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x0000021213415950, 16 bytes long.
 Data: <&#208;&#245;?             > D0 F5 3F 13 12 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000212133FF5D0, 320 bytes long.
 Data: <PYA     &#192; A     > 50 59 41 13 12 02 00 00 C0 01 41 13 12 02 00 00 
{277} normal block at 0x0000021213415FE0, 16 bytes long.
 Data: < dA             > 20 64 41 13 12 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000021213416170, 16 bytes long.
 Data: <&#248;cA             > F8 63 41 13 12 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000021213410160, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x0000021213415590, 16 bytes long.
 Data: <&#208;cA             > D0 63 41 13 12 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002121340FE60, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x00000212134159F0, 16 bytes long.
 Data: < cA             > 18 63 41 13 12 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000021213415BD0, 16 bytes long.
 Data: <&#240;bA             > F0 62 41 13 12 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000021213415450, 16 bytes long.
 Data: <&#200;bA             > C8 62 41 13 12 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000021213415360, 16 bytes long.
 Data: <&#160;bA             > A0 62 41 13 12 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000021213415540, 16 bytes long.
 Data: <xbA             > 78 62 41 13 12 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000212134153B0, 16 bytes long.
 Data: <PbA             > 50 62 41 13 12 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000021213415900, 16 bytes long.
 Data: <pJA             > 70 4A 41 13 12 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000021213414A70, 40 bytes long.
 Data: < YA      &#130;      > 00 59 41 13 12 02 00 00 00 82 13 15 12 02 00 00 
{263} normal block at 0x0000021213415D60, 16 bytes long.
 Data: <0bA             > 30 62 41 13 12 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000021213415C70, 16 bytes long.
 Data: < bA             > 08 62 41 13 12 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002121340FB60, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x0000021213415400, 16 bytes long.
 Data: <&#224;aA             > E0 61 41 13 12 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000212134161E0, 992 bytes long.
 Data: < TA     `&#251;@     > 00 54 41 13 12 02 00 00 60 FB 40 13 12 02 00 00 
{95} normal block at 0x00000212134100A0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x000002121340F2B0, 16 bytes long.
 Data: <0&#194;?             > 30 C2 3F 13 12 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x00000212133FC230, 40 bytes long.
 Data: <&#176;&#242;@     &#160; A     > B0 F2 40 13 12 02 00 00 A0 00 41 13 12 02 00 00 
{72} normal block at 0x000002121340E9A0, 16 bytes long.
 Data: < &#234;^~&#247;           > 80 EA 5E 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002121340EA90, 16 bytes long.
 Data: <@&#233;^~&#247;           > 40 E9 5E 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002121340F300, 16 bytes long.
 Data: <&#248;W[~&#247;           > F8 57 5B 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002121340EB80, 16 bytes long.
 Data: <&#216;W[~&#247;           > D8 57 5B 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002121340E770, 16 bytes long.
 Data: <P [~&#247;           > 50 04 5B 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002121340E900, 16 bytes long.
 Data: <0 [~&#247;           > 30 04 5B 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002121340E8B0, 16 bytes long.
 Data: <&#224; [~&#247;           > E0 02 5B 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002121340E9F0, 16 bytes long.
 Data: <  [~&#247;           > 10 04 5B 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002121340F580, 16 bytes long.
 Data: <p [~&#247;           > 70 04 5B 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002121340EE50, 16 bytes long.
 Data: < &#192;Y~&#247;           > 18 C0 59 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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