Task 38667430

Name test_654-GPUGRID_TEST_ATM_40STEP_20261023-14-40-RND4306_0
Workunit 31610059
Created 25 Oct 2026, 7:53:01 UTC
Sent 25 Oct 2026, 7:53:04 UTC
Report deadline 30 Oct 2026, 7:53:04 UTC
Received 25 Oct 2026, 8:51:54 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 649780
Run time 36 min 42 sec
CPU time 35 min 14 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 11,999.78 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 804.73 MB
Peak swap size 9.95 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
04:15:27 (10580): wrapper (7.9.26016): starting
04:15:27 (10580): 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
04:15:28 (10580): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:15:28 (10580): 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\4\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\4\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
04:51:22 (10580): C:/Windows/system32/cmd.exe exited; CPU time 2114.734375
04:51:22 (10580): 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: 32871633 bytes.
Dumping objects ->
{3835479} normal block at 0x0000024F114048B0, 48 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 0x0000024F11404920, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835457} normal block at 0x0000024F11404840, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835446} normal block at 0x0000024F11404B50, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835435} normal block at 0x0000024F11404680, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835404} normal block at 0x0000024F1326A6E0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835393} normal block at 0x0000024F1327DEE0, 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) : {3835390} normal block at 0x0000024F11400130, 8 bytes long.
 Data: <  &#137; O   > 00 00 89 11 4F 02 00 00 
{3834663} normal block at 0x0000024F1327E510, 102 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 0x0000024F113FFBE0, 8 bytes long.
 Data: <p@@ O   > 70 40 40 11 4F 02 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x0000024F114010A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000024F113F68B0, 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 0x0000024F11405D90, 16 bytes long.
 Data: <hU@ O           > 68 55 40 11 4F 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000024F11406560, 16 bytes long.
 Data: <@U@ O           > 40 55 40 11 4F 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000024F113FEA40, 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 0x0000024F11405700, 16 bytes long.
 Data: < U@ O           > 18 55 40 11 4F 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000024F114064C0, 16 bytes long.
 Data: <&#240;T@ O           > F0 54 40 11 4F 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000024F11405B60, 16 bytes long.
 Data: <&#200;T@ O           > C8 54 40 11 4F 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000024F11406470, 16 bytes long.
 Data: <&#160;T@ O           > A0 54 40 11 4F 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000024F11404760, 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 0x0000024F11406100, 16 bytes long.
 Data: < &#192;> O           > 18 C0 3E 11 4F 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000024F113FF160, 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 0x0000024F11406420, 16 bytes long.
 Data: <&#240;&#191;> O           > F0 BF 3E 11 4F 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000024F11405BB0, 16 bytes long.
 Data: <&#200;&#191;> O           > C8 BF 3E 11 4F 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000024F11406510, 16 bytes long.
 Data: <&#160;&#191;> O           > A0 BF 3E 11 4F 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000024F11405890, 16 bytes long.
 Data: <x&#191;> O           > 78 BF 3E 11 4F 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000024F11405A70, 16 bytes long.
 Data: <P&#191;> O           > 50 BF 3E 11 4F 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000024F11405DE0, 16 bytes long.
 Data: <(&#191;> O           > 28 BF 3E 11 4F 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000024F113FE2C0, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{274} normal block at 0x0000024F114056B0, 16 bytes long.
 Data: < &#191;> O           > 00 BF 3E 11 4F 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000024F113EBF00, 320 bytes long.
 Data: <&#176;V@ O   &#192;&#226;? O   > B0 56 40 11 4F 02 00 00 C0 E2 3F 11 4F 02 00 00 
{272} normal block at 0x0000024F11405ED0, 16 bytes long.
 Data: < T@ O           > 80 54 40 11 4F 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000024F11405B10, 16 bytes long.
 Data: <XT@ O           > 58 54 40 11 4F 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000024F113FEFE0, 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 0x0000024F11405CA0, 16 bytes long.
 Data: <0T@ O           > 30 54 40 11 4F 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000024F113FF1C0, 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 0x0000024F114060B0, 16 bytes long.
 Data: <xS@ O           > 78 53 40 11 4F 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000024F11405E80, 16 bytes long.
 Data: <PS@ O           > 50 53 40 11 4F 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000024F11406150, 16 bytes long.
 Data: <(S@ O           > 28 53 40 11 4F 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000024F11405FC0, 16 bytes long.
 Data: < S@ O           > 00 53 40 11 4F 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000024F113FFF00, 16 bytes long.
 Data: <&#216;R@ O           > D8 52 40 11 4F 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000024F113FFEB0, 16 bytes long.
 Data: <&#176;R@ O           > B0 52 40 11 4F 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000024F113FFA50, 16 bytes long.
 Data: <pJ@ O           > 70 4A 40 11 4F 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000024F11404A70, 40 bytes long.
 Data: <P&#250;? O   &#224;&#166;& O   > 50 FA 3F 11 4F 02 00 00 E0 A6 26 13 4F 02 00 00 
{258} normal block at 0x0000024F113FFE10, 16 bytes long.
 Data: < R@ O           > 90 52 40 11 4F 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000024F113FFA00, 16 bytes long.
 Data: <hR@ O           > 68 52 40 11 4F 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000024F113FF100, 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 0x0000024F113FF960, 16 bytes long.
 Data: <@R@ O           > 40 52 40 11 4F 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000024F11405240, 992 bytes long.
 Data: <`&#249;? O    &#241;? O   > 60 F9 3F 11 4F 02 00 00 00 F1 3F 11 4F 02 00 00 
{90} normal block at 0x0000024F113FF0A0, 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 0x0000024F114001D0, 16 bytes long.
 Data: <&#192;&#235;> O           > C0 EB 3E 11 4F 02 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x0000024F113EEBC0, 40 bytes long.
 Data: <&#208; @ O   &#160;&#240;? O   > D0 01 40 11 4F 02 00 00 A0 F0 3F 11 4F 02 00 00 
{67} normal block at 0x0000024F113FF910, 16 bytes long.
 Data: < &#234;&#238;&#173;&#246;           > 80 EA EE AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000024F113FFFA0, 16 bytes long.
 Data: <@&#233;&#238;&#173;&#246;           > 40 E9 EE AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000024F113FF9B0, 16 bytes long.
 Data: <&#248;W&#235;&#173;&#246;           > F8 57 EB AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000024F11400220, 16 bytes long.
 Data: <&#216;W&#235;&#173;&#246;           > D8 57 EB AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000024F11400090, 16 bytes long.
 Data: <P &#235;&#173;&#246;           > 50 04 EB AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000024F113FF730, 16 bytes long.
 Data: <0 &#235;&#173;&#246;           > 30 04 EB AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000024F11400040, 16 bytes long.
 Data: <&#224; &#235;&#173;&#246;           > E0 02 EB AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000024F113FF5F0, 16 bytes long.
 Data: <  &#235;&#173;&#246;           > 10 04 EB AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000024F113FFC30, 16 bytes long.
 Data: <p &#235;&#173;&#246;           > 70 04 EB AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000024F113FF4B0, 16 bytes long.
 Data: < &#192;&#233;&#173;&#246;           > 18 C0 E9 AD F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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