Task 38668565

Name test_93-GPUGRID_TEST_ATM_40STEP_20261023-17-40-RND3284_0
Workunit 31611057
Created 25 Oct 2026, 12:08:27 UTC
Sent 25 Oct 2026, 12:08:33 UTC
Report deadline 30 Oct 2026, 12:08:33 UTC
Received 25 Oct 2026, 13:44:45 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 602451
Run time 1 hours 35 min 6 sec
CPU time 1 hours 31 min 2 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 2,200.06 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 690.92 MB
Peak swap size 5.21 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
13:09:34 (1292): wrapper (7.9.26016): starting
13:09:34 (1292): 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
13:09:35 (1292): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:09:35 (1292): 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: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
14:44:27 (1292): C:/Windows/system32/cmd.exe exited; CPU time 5462.546875
14:44:27 (1292): 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: 89368543 bytes.
Dumping objects ->
{3835513} normal block at 0x00000236FE884C90, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835502} normal block at 0x00000236FE885160, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835491} normal block at 0x00000236FE885080, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835480} normal block at 0x00000236FE884FA0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835469} normal block at 0x00000236FE885390, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835438} normal block at 0x00000236FF1C6A00, 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) : {3835425} normal block at 0x00000236FE87F140, 8 bytes long.
 Data: <  &#208;&#254;6   > 00 00 D0 FE 36 02 00 00 
{3833967} normal block at 0x00000236FE87F320, 8 bytes long.
 Data: <`I"&#255;6   > 60 49 22 FF 36 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x00000236FE880DF0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x00000236FE876460, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x00000236FE885630, 16 bytes long.
 Data: < g &#254;6           > 88 67 88 FE 36 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000236FE8862B0, 16 bytes long.
 Data: <`g &#254;6           > 60 67 88 FE 36 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000236FE8806C0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x00000236FE886080, 16 bytes long.
 Data: <8g &#254;6           > 38 67 88 FE 36 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000236FE885CC0, 16 bytes long.
 Data: < g &#254;6           > 10 67 88 FE 36 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000236FE886120, 16 bytes long.
 Data: <&#232;f &#254;6           > E8 66 88 FE 36 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000236FE885B30, 16 bytes long.
 Data: <&#192;f &#254;6           > C0 66 88 FE 36 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000236FE885010, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x00000236FE8859A0, 16 bytes long.
 Data: <(&#230;&#134;&#254;6           > 28 E6 86 FE 36 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000236FE87FA60, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x00000236FE885BD0, 16 bytes long.
 Data: < &#230;&#134;&#254;6           > 00 E6 86 FE 36 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000236FE885810, 16 bytes long.
 Data: <&#216;&#229;&#134;&#254;6           > D8 E5 86 FE 36 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000236FE885F90, 16 bytes long.
 Data: <&#176;&#229;&#134;&#254;6           > B0 E5 86 FE 36 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000236FE885F40, 16 bytes long.
 Data: < &#229;&#134;&#254;6           > 88 E5 86 FE 36 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000236FE885680, 16 bytes long.
 Data: <`&#229;&#134;&#254;6           > 60 E5 86 FE 36 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000236FE8863F0, 16 bytes long.
 Data: <8&#229;&#134;&#254;6           > 38 E5 86 FE 36 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000236FE87F8E0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x00000236FE886210, 16 bytes long.
 Data: < &#229;&#134;&#254;6           > 10 E5 86 FE 36 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000236FE86E510, 320 bytes long.
 Data: < b &#254;6   &#224;&#248;&#135;&#254;6   > 10 62 88 FE 36 02 00 00 E0 F8 87 FE 36 02 00 00 
{279} normal block at 0x00000236FE885D10, 16 bytes long.
 Data: <&#160;f &#254;6           > A0 66 88 FE 36 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000236FE885B80, 16 bytes long.
 Data: <xf &#254;6           > 78 66 88 FE 36 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000236FE880300, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x00000236FE8857C0, 16 bytes long.
 Data: <Pf &#254;6           > 50 66 88 FE 36 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000236FE87FAC0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x00000236FE885FE0, 16 bytes long.
 Data: < e &#254;6           > 98 65 88 FE 36 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000236FE885540, 16 bytes long.
 Data: <pe &#254;6           > 70 65 88 FE 36 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000236FE885EF0, 16 bytes long.
 Data: <He &#254;6           > 48 65 88 FE 36 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000236FE885EA0, 16 bytes long.
 Data: < e &#254;6           > 20 65 88 FE 36 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000236FE885720, 16 bytes long.
 Data: <&#248;d &#254;6           > F8 64 88 FE 36 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000236FE8854F0, 16 bytes long.
 Data: <&#208;d &#254;6           > D0 64 88 FE 36 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000236FE885AE0, 16 bytes long.
 Data: < M &#254;6           > 00 4D 88 FE 36 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000236FE884D00, 40 bytes long.
 Data: <&#224;Z &#254;6    j &#255;6   > E0 5A 88 FE 36 02 00 00 00 6A 1C FF 36 02 00 00 
{265} normal block at 0x00000236FE885E50, 16 bytes long.
 Data: <&#176;d &#254;6           > B0 64 88 FE 36 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000236FE885A90, 16 bytes long.
 Data: < d &#254;6           > 88 64 88 FE 36 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000236FE87FA00, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x00000236FE885950, 16 bytes long.
 Data: <`d &#254;6           > 60 64 88 FE 36 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000236FE886460, 992 bytes long.
 Data: <PY &#254;6    &#250;&#135;&#254;6   > 50 59 88 FE 36 02 00 00 00 FA 87 FE 36 02 00 00 
{97} normal block at 0x00000236FE87FE80, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x00000236FE87EA60, 16 bytes long.
 Data: < &#212;&#134;&#254;6           > 20 D4 86 FE 36 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x00000236FE86D420, 40 bytes long.
 Data: <`&#234;&#135;&#254;6    &#254;&#135;&#254;6   > 60 EA 87 FE 36 02 00 00 80 FE 87 FE 36 02 00 00 
{74} normal block at 0x00000236FE87F730, 16 bytes long.
 Data: < &#234;*&#138;&#246;           > 80 EA 2A 8A F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000236FE87E970, 16 bytes long.
 Data: <@&#233;*&#138;&#246;           > 40 E9 2A 8A F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000236FE87F3C0, 16 bytes long.
 Data: <&#248;W'&#138;&#246;           > F8 57 27 8A F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000236FE87E8D0, 16 bytes long.
 Data: <&#216;W'&#138;&#246;           > D8 57 27 8A F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000236FE87F280, 16 bytes long.
 Data: <P '&#138;&#246;           > 50 04 27 8A F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000236FE87F690, 16 bytes long.
 Data: <0 '&#138;&#246;           > 30 04 27 8A F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000236FE87F5F0, 16 bytes long.
 Data: <&#224; '&#138;&#246;           > E0 02 27 8A F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000236FE87EE70, 16 bytes long.
 Data: <  '&#138;&#246;           > 10 04 27 8A F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000236FE87F2D0, 16 bytes long.
 Data: <p '&#138;&#246;           > 70 04 27 8A F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000236FE87EC90, 16 bytes long.
 Data: < &#192;%&#138;&#246;           > 18 C0 25 8A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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