Task 38671708

Name test_967-GPUGRID_TEST_ATM_40STEP_20261023-14-40-RND6457_0
Workunit 31613897
Created 25 Oct 2026, 21:20:23 UTC
Sent 25 Oct 2026, 21:20:28 UTC
Report deadline 30 Oct 2026, 21:20:28 UTC
Received 25 Oct 2026, 22:31:18 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 643074
Run time 52 min 46 sec
CPU time 38 min 54 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 694.90 MB
Peak swap size 3.09 GB
Peak disk usage 3.11 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
22:39:41 (28492): wrapper (7.9.26016): starting
22:39:41 (28492): 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
22:39:43 (28492): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:39:43 (28492): 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
23:30:53 (28492): C:/Windows/system32/cmd.exe exited; CPU time 2334.312500
23:30:53 (28492): 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: 47287257 bytes.
Dumping objects ->
{3835267} normal block at 0x0000021FB21656A0, 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 0x0000021FB2165630, 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 0x0000021FB21655C0, 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 0x0000021FB21658D0, 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 0x0000021FB2165400, 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 0x0000021FB3DFB680, 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 0x0000021FB3E0F4F0, 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 0x0000021FB21605A0, 8 bytes long.
 Data: <  &#202;&#179;    > 00 00 CA B3 1F 02 00 00 
{3834559} normal block at 0x0000021FB3E0F5A0, 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 0x0000021FB2160EB0, 8 bytes long.
 Data: <&#160;&#222;      > A0 DE 14 B2 1F 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000021FB21616A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000021FB214FEF0, 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 0x0000021FB21667F0, 16 bytes long.
 Data: <&#232;b              > E8 62 16 B2 1F 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000021FB2166E30, 16 bytes long.
 Data: <&#192;b              > C0 62 16 B2 1F 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000021FB215E230, 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 0x0000021FB2166D90, 16 bytes long.
 Data: < b              > 98 62 16 B2 1F 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000021FB2166D40, 16 bytes long.
 Data: <pb              > 70 62 16 B2 1F 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000021FB2166570, 16 bytes long.
 Data: <Hb              > 48 62 16 B2 1F 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000021FB2166FC0, 16 bytes long.
 Data: < b              > 20 62 16 B2 1F 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000021FB21659B0, 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 0x0000021FB21666B0, 16 bytes long.
 Data: <h&#237;              > 68 ED 14 B2 1F 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000021FB215E530, 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 0x0000021FB21667A0, 16 bytes long.
 Data: <@&#237;              > 40 ED 14 B2 1F 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000021FB2166F20, 16 bytes long.
 Data: < &#237;              > 18 ED 14 B2 1F 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000021FB2166A20, 16 bytes long.
 Data: <&#240;&#236;              > F0 EC 14 B2 1F 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000021FB2166430, 16 bytes long.
 Data: <&#200;&#236;              > C8 EC 14 B2 1F 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000021FB2166520, 16 bytes long.
 Data: <&#160;&#236;              > A0 EC 14 B2 1F 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000021FB2166BB0, 16 bytes long.
 Data: <x&#236;              > 78 EC 14 B2 1F 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000021FB215E410, 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 0x0000021FB2166750, 16 bytes long.
 Data: <P&#236;              > 50 EC 14 B2 1F 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000021FB214EC50, 320 bytes long.
 Data: <Pg       &#228;      > 50 67 16 B2 1F 02 00 00 10 E4 15 B2 1F 02 00 00 
{274} normal block at 0x0000021FB21665C0, 16 bytes long.
 Data: < b              > 00 62 16 B2 1F 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000021FB2166F70, 16 bytes long.
 Data: <&#216;a              > D8 61 16 B2 1F 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000021FB215DB70, 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 0x0000021FB2166980, 16 bytes long.
 Data: <&#176;a              > B0 61 16 B2 1F 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000021FB215D990, 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 0x0000021FB2166CF0, 16 bytes long.
 Data: <&#248;`              > F8 60 16 B2 1F 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000021FB21664D0, 16 bytes long.
 Data: <&#208;`              > D0 60 16 B2 1F 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000021FB2166480, 16 bytes long.
 Data: <&#168;`              > A8 60 16 B2 1F 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000021FB2166890, 16 bytes long.
 Data: < `              > 80 60 16 B2 1F 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000021FB2166840, 16 bytes long.
 Data: <X`              > 58 60 16 B2 1F 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000021FB2160CD0, 16 bytes long.
 Data: <0`              > 30 60 16 B2 1F 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000021FB21605F0, 16 bytes long.
 Data: < W              > 80 57 16 B2 1F 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000021FB2165780, 40 bytes long.
 Data: <&#240;        &#182;&#223;&#179;    > F0 05 16 B2 1F 02 00 00 80 B6 DF B3 1F 02 00 00 
{260} normal block at 0x0000021FB2160550, 16 bytes long.
 Data: < `              > 10 60 16 B2 1F 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000021FB2160DC0, 16 bytes long.
 Data: <&#232;_              > E8 5F 16 B2 1F 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000021FB215E170, 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 0x0000021FB2160F50, 16 bytes long.
 Data: <&#192;_              > C0 5F 16 B2 1F 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000021FB2165FC0, 992 bytes long.
 Data: <P       p&#225;      > 50 0F 16 B2 1F 02 00 00 70 E1 15 B2 1F 02 00 00 
{92} normal block at 0x0000021FB215DFF0, 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 0x0000021FB2160460, 16 bytes long.
 Data: < &#218;              > 00 DA 14 B2 1F 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x0000021FB214DA00, 40 bytes long.
 Data: <`       &#240;&#223;      > 60 04 16 B2 1F 02 00 00 F0 DF 15 B2 1F 02 00 00 
{69} normal block at 0x0000021FB21603C0, 16 bytes long.
 Data: < &#234;R&#221;&#247;           > 80 EA 52 DD F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000021FB2160690, 16 bytes long.
 Data: <@&#233;R&#221;&#247;           > 40 E9 52 DD F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000021FB2160190, 16 bytes long.
 Data: <&#248;WO&#221;&#247;           > F8 57 4F DD F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000021FB2160820, 16 bytes long.
 Data: <&#216;WO&#221;&#247;           > D8 57 4F DD F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000021FB2160910, 16 bytes long.
 Data: <P O&#221;&#247;           > 50 04 4F DD F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000021FB2160960, 16 bytes long.
 Data: <0 O&#221;&#247;           > 30 04 4F DD F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000021FB2160A50, 16 bytes long.
 Data: <&#224; O&#221;&#247;           > E0 02 4F DD F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000021FB2160050, 16 bytes long.
 Data: <  O&#221;&#247;           > 10 04 4F DD F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000021FB21608C0, 16 bytes long.
 Data: <p O&#221;&#247;           > 70 04 4F DD F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000021FB2160D20, 16 bytes long.
 Data: < &#192;M&#221;&#247;           > 18 C0 4D DD F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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