Task 38684352

Name test_411-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND2245_0
Workunit 31625867
Created 27 Oct 2026, 15:57:01 UTC
Sent 27 Oct 2026, 15:57:06 UTC
Report deadline 1 Nov 2026, 15:57:06 UTC
Received 28 Oct 2026, 4:42:57 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 514949
Run time 43 min 57 sec
CPU time 40 min 41 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 11,343.40 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 648.91 MB
Peak swap size 5.29 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
22:59:06 (11444): wrapper (7.9.26016): starting
22:59:06 (11444): 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
22:59:07 (11444): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:59:07 (11444): 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 'D:\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 'D:\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
23:42:30 (11444): C:/Windows/system32/cmd.exe exited; CPU time 2441.250000
23:42:30 (11444): called boinc_finish(0)
0 bytes in 0 Free Blocks.
526 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: 41420059 bytes.
Dumping objects ->
{3835319} normal block at 0x0000015580366650, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835308} normal block at 0x0000015580366B20, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835297} normal block at 0x00000155803665E0, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835286} normal block at 0x00000155FE5FDA80, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835275} normal block at 0x00000155FE5FD930, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835244} normal block at 0x000001558027C300, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835233} normal block at 0x00000155803694B0, 135 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) : {3835230} normal block at 0x00000155FE5F6EC0, 8 bytes long.
 Data: <    U   > 00 00 17 80 55 01 00 00 
{3834589} normal block at 0x00000155803693E0, 135 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833949} normal block at 0x00000155FE5F6F10, 8 bytes long.
 Data: <@P6 U   > 40 50 36 80 55 01 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x00000155FE6009C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000155FE5EB3A0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{290} normal block at 0x00000155FE602400, 16 bytes long.
 Data: < @`&#254;U           > 08 40 60 FE 55 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000155FE601EB0, 16 bytes long.
 Data: <&#224;?`&#254;U           > E0 3F 60 FE 55 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000155FE5FBBB0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{287} normal block at 0x00000155FE6019B0, 16 bytes long.
 Data: <&#184;?`&#254;U           > B8 3F 60 FE 55 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000155FE6024A0, 16 bytes long.
 Data: < ?`&#254;U           > 90 3F 60 FE 55 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000155FE602180, 16 bytes long.
 Data: <h?`&#254;U           > 68 3F 60 FE 55 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000155FE601D70, 16 bytes long.
 Data: <@?`&#254;U           > 40 3F 60 FE 55 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000155FE5FDD20, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{282} normal block at 0x00000155FE601E60, 16 bytes long.
 Data: <(&#210;_&#254;U           > 28 D2 5F FE 55 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000155FE5FC030, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{280} normal block at 0x00000155FE601960, 16 bytes long.
 Data: < &#210;_&#254;U           > 00 D2 5F FE 55 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000155FE6021D0, 16 bytes long.
 Data: <&#216;&#209;_&#254;U           > D8 D1 5F FE 55 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000155FE601B90, 16 bytes long.
 Data: <&#176;&#209;_&#254;U           > B0 D1 5F FE 55 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000155FE601E10, 16 bytes long.
 Data: < &#209;_&#254;U           > 88 D1 5F FE 55 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000155FE601C30, 16 bytes long.
 Data: <`&#209;_&#254;U           > 60 D1 5F FE 55 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000155FE602130, 16 bytes long.
 Data: <8&#209;_&#254;U           > 38 D1 5F FE 55 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000155FE5FBFD0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{272} normal block at 0x00000155FE601AA0, 16 bytes long.
 Data: < &#209;_&#254;U           > 10 D1 5F FE 55 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000155FE5FD110, 320 bytes long.
 Data: <&#160; `&#254;U   &#208;&#191;_&#254;U   > A0 1A 60 FE 55 01 00 00 D0 BF 5F FE 55 01 00 00 
{270} normal block at 0x00000155FE602090, 16 bytes long.
 Data: < ?`&#254;U           > 20 3F 60 FE 55 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000155FE601FA0, 16 bytes long.
 Data: <&#248;>`&#254;U           > F8 3E 60 FE 55 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000155FE5FB9D0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{267} normal block at 0x00000155FE601C80, 16 bytes long.
 Data: <&#208;>`&#254;U           > D0 3E 60 FE 55 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000155FE5FB910, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{265} normal block at 0x00000155FE601CD0, 16 bytes long.
 Data: < >`&#254;U           > 18 3E 60 FE 55 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000155FE601910, 16 bytes long.
 Data: <&#240;=`&#254;U           > F0 3D 60 FE 55 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000155FE602220, 16 bytes long.
 Data: <&#200;=`&#254;U           > C8 3D 60 FE 55 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000155FE602860, 16 bytes long.
 Data: <&#160;=`&#254;U           > A0 3D 60 FE 55 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000155FE601F00, 16 bytes long.
 Data: <x=`&#254;U           > 78 3D 60 FE 55 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000155FE601A00, 16 bytes long.
 Data: <P=`&#254;U           > 50 3D 60 FE 55 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000155FE6027C0, 16 bytes long.
 Data: <`&#219;_&#254;U           > 60 DB 5F FE 55 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000155FE5FDB60, 40 bytes long.
 Data: <&#192;'`&#254;U    &#195;' U   > C0 27 60 FE 55 01 00 00 00 C3 27 80 55 01 00 00 
{256} normal block at 0x00000155FE6022C0, 16 bytes long.
 Data: <0=`&#254;U           > 30 3D 60 FE 55 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000155FE601AF0, 16 bytes long.
 Data: < =`&#254;U           > 08 3D 60 FE 55 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x00000155FE5FBAF0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{253} normal block at 0x00000155FE6026D0, 16 bytes long.
 Data: <&#224;<`&#254;U           > E0 3C 60 FE 55 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x00000155FE603CE0, 992 bytes long.
 Data: <&#208;&`&#254;U   &#240;&#186;_&#254;U   > D0 26 60 FE 55 01 00 00 F0 BA 5F FE 55 01 00 00 
{88} normal block at 0x00000155FE5FBF70, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{87} normal block at 0x00000155FE5F6E70, 16 bytes long.
 Data: <&#224;&#215;_&#254;U           > E0 D7 5F FE 55 01 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x00000155FE5FD7E0, 40 bytes long.
 Data: <pn_&#254;U   p&#191;_&#254;U   > 70 6E 5F FE 55 01 00 00 70 BF 5F FE 55 01 00 00 
{65} normal block at 0x00000155FE5F74B0, 16 bytes long.
 Data: < &#234;  &#247;           > 80 EA 1C 8F F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000155FE5F6D30, 16 bytes long.
 Data: <@&#233;  &#247;           > 40 E9 1C 8F F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000155FE5F6BF0, 16 bytes long.
 Data: <&#248;W  &#247;           > F8 57 19 8F F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000155FE5F7870, 16 bytes long.
 Data: <&#216;W  &#247;           > D8 57 19 8F F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000155FE5F70A0, 16 bytes long.
 Data: <P   &#247;           > 50 04 19 8F F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000155FE5F77D0, 16 bytes long.
 Data: <0   &#247;           > 30 04 19 8F F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000155FE5F7780, 16 bytes long.
 Data: <&#224;   &#247;           > E0 02 19 8F F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000155FE5F7500, 16 bytes long.
 Data: <    &#247;           > 10 04 19 8F F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000155FE5F6CE0, 16 bytes long.
 Data: <p   &#247;           > 70 04 19 8F F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x00000155FE5F72D0, 16 bytes long.
 Data: < &#192;  &#247;           > 18 C0 17 8F F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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