Task 38658381

Name test_898-GPUGRID_TEST_ATM_2STEP_20261024-0-2-RND1573_0
Workunit 31601967
Created 24 Oct 2026, 12:36:58 UTC
Sent 24 Oct 2026, 13:26:05 UTC
Report deadline 29 Oct 2026, 13:26:05 UTC
Received 24 Oct 2026, 14:22:22 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 643074
Run time 45 min 21 sec
CPU time 30 min 58 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,848.68 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 686.07 MB
Peak swap size 3.08 GB
Peak disk usage 4.14 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
15:39:23 (7212): wrapper (7.9.26016): starting
15:39:23 (7212): 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
15:39:27 (7212): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:39:27 (7212): 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
16:22:04 (7212): C:/Windows/system32/cmd.exe exited; CPU time 1858.984375
16:22:04 (7212): 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: 43329983 bytes.
Dumping objects ->
{3835267} normal block at 0x000002697F565550, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835256} normal block at 0x000002697F5654E0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835245} normal block at 0x000002697F565470, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835234} normal block at 0x000002697F5659B0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835223} normal block at 0x000002697F565630, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835192} normal block at 0x000002697FDBBE00, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835181} normal block at 0x000002697FDCF910, 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) : {3835178} normal block at 0x000002697F560250, 8 bytes long.
 Data: <  &#182; i   > 00 00 B6 7F 69 02 00 00 
{3834559} normal block at 0x000002697FDD00A0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x000002697F5600C0, 8 bytes long.
 Data: < D&#228; i   > 90 44 E4 7F 69 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000002697F5621B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002697F55C750, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x000002697F566640, 16 bytes long.
 Data: < `V i           > 98 60 56 7F 69 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002697F566230, 16 bytes long.
 Data: <p`V i           > 70 60 56 7F 69 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002697F55E8D0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x000002697F5661E0, 16 bytes long.
 Data: <H`V i           > 48 60 56 7F 69 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002697F566BE0, 16 bytes long.
 Data: < `V i           > 20 60 56 7F 69 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002697F566E60, 16 bytes long.
 Data: <&#248;_V i           > F8 5F 56 7F 69 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002697F566A00, 16 bytes long.
 Data: <&#208;_V i           > D0 5F 56 7F 69 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002697F5656A0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x000002697F5669B0, 16 bytes long.
 Data: <H&#132;U i           > 48 84 55 7F 69 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002697F55EAB0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x000002697F566910, 16 bytes long.
 Data: < &#132;U i           > 20 84 55 7F 69 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002697F566410, 16 bytes long.
 Data: <&#248; U i           > F8 83 55 7F 69 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002697F566C80, 16 bytes long.
 Data: <&#208; U i           > D0 83 55 7F 69 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002697F566500, 16 bytes long.
 Data: <&#168; U i           > A8 83 55 7F 69 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002697F566B90, 16 bytes long.
 Data: <  U i           > 80 83 55 7F 69 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002697F566550, 16 bytes long.
 Data: <X U i           > 58 83 55 7F 69 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002697F55E930, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x000002697F5663C0, 16 bytes long.
 Data: <0 U i           > 30 83 55 7F 69 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002697F558330, 320 bytes long.
 Data: <&#192;cV i   0&#233;U i   > C0 63 56 7F 69 02 00 00 30 E9 55 7F 69 02 00 00 
{274} normal block at 0x000002697F567130, 16 bytes long.
 Data: <&#176;_V i           > B0 5F 56 7F 69 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002697F566E10, 16 bytes long.
 Data: < _V i           > 88 5F 56 7F 69 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002697F55EED0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x000002697F566820, 16 bytes long.
 Data: <`_V i           > 60 5F 56 7F 69 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002697F55F110, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x000002697F5670E0, 16 bytes long.
 Data: <&#168;^V i           > A8 5E 56 7F 69 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002697F566370, 16 bytes long.
 Data: < ^V i           > 80 5E 56 7F 69 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002697F566DC0, 16 bytes long.
 Data: <X^V i           > 58 5E 56 7F 69 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002697F566FA0, 16 bytes long.
 Data: <0^V i           > 30 5E 56 7F 69 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002697F5662D0, 16 bytes long.
 Data: < ^V i           > 08 5E 56 7F 69 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002697F55F800, 16 bytes long.
 Data: <&#224;]V i           > E0 5D 56 7F 69 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002697F560570, 16 bytes long.
 Data: < ZV i           > 20 5A 56 7F 69 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002697F565A20, 40 bytes long.
 Data: <p V i    &#190;&#219; i   > 70 05 56 7F 69 02 00 00 00 BE DB 7F 69 02 00 00 
{260} normal block at 0x000002697F5604D0, 16 bytes long.
 Data: <&#192;]V i           > C0 5D 56 7F 69 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002697F560070, 16 bytes long.
 Data: < ]V i           > 98 5D 56 7F 69 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002697F55E990, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x000002697F55FF30, 16 bytes long.
 Data: <p]V i           > 70 5D 56 7F 69 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002697F565D70, 992 bytes long.
 Data: <0 U i    &#233;U i   > 30 FF 55 7F 69 02 00 00 90 E9 55 7F 69 02 00 00 
{92} normal block at 0x000002697F55EA50, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x000002697F55FDA0, 16 bytes long.
 Data: <&#208;&#241;T i           > D0 F1 54 7F 69 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000002697F54F1D0, 40 bytes long.
 Data: <&#160;&#253;U i   P&#234;U i   > A0 FD 55 7F 69 02 00 00 50 EA 55 7F 69 02 00 00 
{69} normal block at 0x000002697F5602A0, 16 bytes long.
 Data: < &#234;?#&#246;           > 80 EA 3F 23 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002697F560430, 16 bytes long.
 Data: <@&#233;?#&#246;           > 40 E9 3F 23 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002697F55FB70, 16 bytes long.
 Data: <&#248;W<#&#246;           > F8 57 3C 23 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002697F55FB20, 16 bytes long.
 Data: <&#216;W<#&#246;           > D8 57 3C 23 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002697F55F990, 16 bytes long.
 Data: <P <#&#246;           > 50 04 3C 23 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002697F55F7B0, 16 bytes long.
 Data: <0 <#&#246;           > 30 04 3C 23 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002697F55F760, 16 bytes long.
 Data: <&#224; <#&#246;           > E0 02 3C 23 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002697F55FAD0, 16 bytes long.
 Data: <  <#&#246;           > 10 04 3C 23 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002697F55FA80, 16 bytes long.
 Data: <p <#&#246;           > 70 04 3C 23 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002697F55FE40, 16 bytes long.
 Data: < &#192;:#&#246;           > 18 C0 3A 23 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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