Task 38675353

Name test_138-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND3367_1
Workunit 31617250
Created 26 Oct 2026, 8:02:09 UTC
Sent 26 Oct 2026, 8:02:14 UTC
Report deadline 31 Oct 2026, 8:02:14 UTC
Received 26 Oct 2026, 9:22:53 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 651346
Run time 21 min 1 sec
CPU time 20 min
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,325.87 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 719.94 MB
Peak swap size 12.95 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
03:59:03 (14184): wrapper (7.9.26016): starting
03:59:03 (14184): 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
03:59:04 (14184): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:59:04 (14184): 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\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 'C:\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
04:19:30 (14184): C:/Windows/system32/cmd.exe exited; CPU time 1200.125000
04:19:30 (14184): called boinc_finish(0)
0 bytes in 0 Free Blocks.
726 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: 15186035 bytes.
Dumping objects ->
{3835567} normal block at 0x00000170E7481CB0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835556} normal block at 0x00000170E7481930, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835545} normal block at 0x00000170E7481D90, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835534} normal block at 0x00000170E7481C40, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835523} normal block at 0x00000170E74819A0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835492} normal block at 0x00000170E763BD00, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835481} normal block at 0x00000170E58CED00, 235 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) : {3835478} normal block at 0x00000170E57ED800, 8 bytes long.
 Data: <  &#216;&#229;p   > 00 00 D8 E5 70 01 00 00 
{3834701} normal block at 0x00000170E58CEE30, 235 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 0x00000170E57EDC60, 8 bytes long.
 Data: < F &#229;p   > 00 46 7F E5 70 01 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x00000170E57EF910, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000170E57E5350, 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 0x00000170E57F5980, 16 bytes long.
 Data: <hb &#229;p           > 68 62 7F E5 70 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000170E57F58E0, 16 bytes long.
 Data: <@b &#229;p           > 40 62 7F E5 70 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000170E57EED00, 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 0x00000170E57F5610, 16 bytes long.
 Data: < b &#229;p           > 18 62 7F E5 70 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000170E57F5890, 16 bytes long.
 Data: <&#240;a &#229;p           > F0 61 7F E5 70 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000170E57F5C00, 16 bytes long.
 Data: <&#200;a &#229;p           > C8 61 7F E5 70 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000170E57F5AC0, 16 bytes long.
 Data: <&#160;a &#229;p           > A0 61 7F E5 70 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000170E57DECE0, 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 0x00000170E57F54D0, 16 bytes long.
 Data: <&#168;&#214;~&#229;p           > A8 D6 7E E5 70 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000170E57EF5A0, 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 0x00000170E57F5D40, 16 bytes long.
 Data: < &#214;~&#229;p           > 80 D6 7E E5 70 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000170E57F5DE0, 16 bytes long.
 Data: <X&#214;~&#229;p           > 58 D6 7E E5 70 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000170E57F5ED0, 16 bytes long.
 Data: <0&#214;~&#229;p           > 30 D6 7E E5 70 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000170E57F5430, 16 bytes long.
 Data: < &#214;~&#229;p           > 08 D6 7E E5 70 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000170E57F5CA0, 16 bytes long.
 Data: <&#224;&#213;~&#229;p           > E0 D5 7E E5 70 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000170E57F5A70, 16 bytes long.
 Data: <&#184;&#213;~&#229;p           > B8 D5 7E E5 70 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000170E57EF2A0, 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 0x00000170E57F5160, 16 bytes long.
 Data: < &#213;~&#229;p           > 90 D5 7E E5 70 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000170E57ED590, 320 bytes long.
 Data: <`Q &#229;p   &#160;&#242;~&#229;p   > 60 51 7F E5 70 01 00 00 A0 F2 7E E5 70 01 00 00 
{272} normal block at 0x00000170E57F5840, 16 bytes long.
 Data: < a &#229;p           > 80 61 7F E5 70 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000170E57F5250, 16 bytes long.
 Data: <Xa &#229;p           > 58 61 7F E5 70 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000170E57EE940, 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 0x00000170E57F5CF0, 16 bytes long.
 Data: <0a &#229;p           > 30 61 7F E5 70 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000170E57EF360, 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 0x00000170E57F5A20, 16 bytes long.
 Data: <x` &#229;p           > 78 60 7F E5 70 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000170E57F5480, 16 bytes long.
 Data: <P` &#229;p           > 50 60 7F E5 70 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000170E57F5C50, 16 bytes long.
 Data: <(` &#229;p           > 28 60 7F E5 70 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000170E57F53E0, 16 bytes long.
 Data: < ` &#229;p           > 00 60 7F E5 70 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000170E57F52F0, 16 bytes long.
 Data: <&#216;_ &#229;p           > D8 5F 7F E5 70 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000170E57F50C0, 16 bytes long.
 Data: <&#176;_ &#229;p           > B0 5F 7F E5 70 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000170E57F59D0, 16 bytes long.
 Data: < &#209;}&#229;p           > 00 D1 7D E5 70 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000170E57DD100, 40 bytes long.
 Data: <&#208;Y &#229;p    &#189;c&#231;p   > D0 59 7F E5 70 01 00 00 00 BD 63 E7 70 01 00 00 
{258} normal block at 0x00000170E57F5390, 16 bytes long.
 Data: < _ &#229;p           > 90 5F 7F E5 70 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000170E57F57F0, 16 bytes long.
 Data: <h_ &#229;p           > 68 5F 7F E5 70 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000170E57EE7C0, 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 0x00000170E57F5020, 16 bytes long.
 Data: <@_ &#229;p           > 40 5F 7F E5 70 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x00000170E57F5F40, 992 bytes long.
 Data: < P &#229;p   &#192;&#231;~&#229;p   > 20 50 7F E5 70 01 00 00 C0 E7 7E E5 70 01 00 00 
{90} normal block at 0x00000170E57EF420, 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 0x00000170E57EDD00, 16 bytes long.
 Data: < &#197;}&#229;p           > 10 C5 7D E5 70 01 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x00000170E57DC510, 40 bytes long.
 Data: < &#221;~&#229;p    &#244;~&#229;p   > 00 DD 7E E5 70 01 00 00 20 F4 7E E5 70 01 00 00 
{67} normal block at 0x00000170E57EDB70, 16 bytes long.
 Data: < &#234;1&#173;&#246;           > 80 EA 31 AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000170E57EDE90, 16 bytes long.
 Data: <@&#233;1&#173;&#246;           > 40 E9 31 AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000170E57EDF80, 16 bytes long.
 Data: <&#248;W.&#173;&#246;           > F8 57 2E AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000170E57EDFD0, 16 bytes long.
 Data: <&#216;W.&#173;&#246;           > D8 57 2E AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000170E57EDDA0, 16 bytes long.
 Data: <P .&#173;&#246;           > 50 04 2E AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000170E57EE390, 16 bytes long.
 Data: <0 .&#173;&#246;           > 30 04 2E AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000170E57EDBC0, 16 bytes long.
 Data: <&#224; .&#173;&#246;           > E0 02 2E AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000170E57EE1B0, 16 bytes long.
 Data: <  .&#173;&#246;           > 10 04 2E AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000170E57EDB20, 16 bytes long.
 Data: <p .&#173;&#246;           > 70 04 2E AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000170E57EE160, 16 bytes long.
 Data: < &#192;,&#173;&#246;           > 18 C0 2C AD F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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