Task 38668016

Name test_796-GPUGRID_TEST_ATM_40STEP_20261023-13-40-RND8183_0
Workunit 31610583
Created 25 Oct 2026, 10:18:32 UTC
Sent 25 Oct 2026, 10:18:35 UTC
Report deadline 30 Oct 2026, 10:18:35 UTC
Received 25 Oct 2026, 11:36:58 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648153
Run time 1 hours 3 min 43 sec
CPU time 55 min 45 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,741.16 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 702.93 MB
Peak swap size 6.86 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
05:35:34 (35976): wrapper (7.9.26016): starting
05:35:34 (35976): 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
05:35:38 (35976): Library/usr/bin/tar.exe exited; CPU time 0.015625
05:35:38 (35976): 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
06:36:35 (35976): C:/Windows/system32/cmd.exe exited; CPU time 3345.343750
06:36:35 (35976): 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: 94353787 bytes.
Dumping objects ->
{3835249} normal block at 0x00000178C2343F20, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835238} normal block at 0x00000178C2344A10, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835227} normal block at 0x00000178C2343EB0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835216} normal block at 0x00000178C23448C0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835205} normal block at 0x00000178C2344230, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835174} normal block at 0x00000178C3EC15D0, 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) : {3835161} normal block at 0x00000178C226C140, 8 bytes long.
 Data: <  &#135;&#194;x   > 00 00 87 C2 78 01 00 00 
{3833977} normal block at 0x00000178C226C6E0, 8 bytes long.
 Data: <`f &#196;x   > 60 66 04 C4 78 01 00 00 
..\zip\boinc_zip.cpp(122) : {320} normal block at 0x00000178C2272B30, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x00000178C2267E70, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{304} normal block at 0x00000178C2278170, 16 bytes long.
 Data: <&#248;&#133;'&#194;x           > F8 85 27 C2 78 01 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x00000178C2277450, 16 bytes long.
 Data: <&#208;&#133;'&#194;x           > D0 85 27 C2 78 01 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x00000178C2270320, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{301} normal block at 0x00000178C2277950, 16 bytes long.
 Data: <&#168;&#133;'&#194;x           > A8 85 27 C2 78 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x00000178C2278120, 16 bytes long.
 Data: < &#133;'&#194;x           > 80 85 27 C2 78 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000178C22780D0, 16 bytes long.
 Data: <X&#133;'&#194;x           > 58 85 27 C2 78 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000178C2278080, 16 bytes long.
 Data: <0&#133;'&#194;x           > 30 85 27 C2 78 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000178C2275570, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{296} normal block at 0x00000178C2277810, 16 bytes long.
 Data: < &#167;&&#194;x           > 88 A7 26 C2 78 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000178C2270B60, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{294} normal block at 0x00000178C2277590, 16 bytes long.
 Data: <`&#167;&&#194;x           > 60 A7 26 C2 78 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000178C2277B30, 16 bytes long.
 Data: <8&#167;&&#194;x           > 38 A7 26 C2 78 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000178C2277FE0, 16 bytes long.
 Data: < &#167;&&#194;x           > 10 A7 26 C2 78 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000178C22779A0, 16 bytes long.
 Data: <&#232;&#166;&&#194;x           > E8 A6 26 C2 78 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000178C2277F90, 16 bytes long.
 Data: <&#192;&#166;&&#194;x           > C0 A6 26 C2 78 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000178C2277EA0, 16 bytes long.
 Data: < &#166;&&#194;x           > 98 A6 26 C2 78 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000178C2270E60, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{286} normal block at 0x00000178C2277A40, 16 bytes long.
 Data: <p&#166;&&#194;x           > 70 A6 26 C2 78 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000178C226A670, 320 bytes long.
 Data: <@z'&#194;x   ` '&#194;x   > 40 7A 27 C2 78 01 00 00 60 0E 27 C2 78 01 00 00 
{284} normal block at 0x00000178C2277E00, 16 bytes long.
 Data: < &#133;'&#194;x           > 10 85 27 C2 78 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000178C2278030, 16 bytes long.
 Data: <&#232;&#132;'&#194;x           > E8 84 27 C2 78 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000178C2270C80, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{281} normal block at 0x00000178C2277F40, 16 bytes long.
 Data: <&#192;&#132;'&#194;x           > C0 84 27 C2 78 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000178C22705C0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{279} normal block at 0x00000178C2277E50, 16 bytes long.
 Data: < &#132;'&#194;x           > 08 84 27 C2 78 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000178C2277310, 16 bytes long.
 Data: <&#224;&#131;'&#194;x           > E0 83 27 C2 78 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000178C2277DB0, 16 bytes long.
 Data: <&#184;&#131;'&#194;x           > B8 83 27 C2 78 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000178C2277EF0, 16 bytes long.
 Data: < &#131;'&#194;x           > 90 83 27 C2 78 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000178C2277AE0, 16 bytes long.
 Data: <h&#131;'&#194;x           > 68 83 27 C2 78 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000178C2277540, 16 bytes long.
 Data: <@&#131;'&#194;x           > 40 83 27 C2 78 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000178C2277D60, 16 bytes long.
 Data: < X'&#194;x           > 10 58 27 C2 78 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000178C2275810, 40 bytes long.
 Data: <`}'&#194;x   &#208; &#236;&#195;x   > 60 7D 27 C2 78 01 00 00 D0 15 EC C3 78 01 00 00 
{270} normal block at 0x00000178C2278210, 16 bytes long.
 Data: < &#131;'&#194;x           > 20 83 27 C2 78 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000178C2277D10, 16 bytes long.
 Data: <&#248;&#130;'&#194;x           > F8 82 27 C2 78 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000178C2270B00, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{267} normal block at 0x00000178C2277360, 16 bytes long.
 Data: <&#208;&#130;'&#194;x           > D0 82 27 C2 78 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000178C22782D0, 992 bytes long.
 Data: <`s'&#194;x     '&#194;x   > 60 73 27 C2 78 01 00 00 00 0B 27 C2 78 01 00 00 
{102} normal block at 0x00000178C22706E0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{101} normal block at 0x00000178C226C820, 16 bytes long.
 Data: <&#160;W'&#194;x           > A0 57 27 C2 78 01 00 00 00 00 00 00 00 00 00 00 
{100} normal block at 0x00000178C22757A0, 40 bytes long.
 Data: < &#200;&&#194;x   &#224; '&#194;x   > 20 C8 26 C2 78 01 00 00 E0 06 27 C2 78 01 00 00 
{79} normal block at 0x00000178C226BF60, 16 bytes long.
 Data: < &#234;&#130;M&#246;           > 80 EA 82 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x00000178C226C550, 16 bytes long.
 Data: <@&#233;&#130;M&#246;           > 40 E9 82 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x00000178C226C0F0, 16 bytes long.
 Data: <&#248;W M&#246;           > F8 57 7F 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x00000178C226C1E0, 16 bytes long.
 Data: <&#216;W M&#246;           > D8 57 7F 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x00000178C226BDD0, 16 bytes long.
 Data: <P  M&#246;           > 50 04 7F 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x00000178C226C050, 16 bytes long.
 Data: <0  M&#246;           > 30 04 7F 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000178C226BD80, 16 bytes long.
 Data: <&#224;  M&#246;           > E0 02 7F 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000178C226C460, 16 bytes long.
 Data: <   M&#246;           > 10 04 7F 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000178C226BD30, 16 bytes long.
 Data: <p  M&#246;           > 70 04 7F 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000178C226BAB0, 16 bytes long.
 Data: < &#192;}M&#246;           > 18 C0 7D 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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