Task 38668478

Name test_149-GPUGRID_TEST_ATM_100SAMPLES_20261025-0-1-RND8833_2
Workunit 31607586
Created 25 Oct 2026, 11:54:20 UTC
Sent 25 Oct 2026, 11:54:25 UTC
Report deadline 30 Oct 2026, 11:54:25 UTC
Received 25 Oct 2026, 18:19:03 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654147
Run time 5 hours 13 min 48 sec
CPU time 5 hours 5 min 12 sec
Validate state Valid
Credit 600,000.00
Device peak FLOPS 7,069.21 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 692.12 MB
Peak swap size 5.27 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:03:06 (12040): wrapper (7.9.26016): starting
14:03:06 (12040): 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
14:03:08 (12040): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:03:08 (12040): 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
19:15:57 (12040): C:/Windows/system32/cmd.exe exited; CPU time 18312.265625
19:15:57 (12040): 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: 307839459 bytes.
Dumping objects ->
{3835197} normal block at 0x000002561F74CD50, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835186} normal block at 0x000002561F74C340, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835175} normal block at 0x000002561F6F4A90, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835164} normal block at 0x000002561F6F4A20, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835153} normal block at 0x000002561F6F49B0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835122} normal block at 0x0000025621433F40, 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) : {3835109} normal block at 0x000002561F6F0150, 8 bytes long.
 Data: <  &#200; V   > 00 00 C8 1F 56 02 00 00 
{3833959} normal block at 0x000002561F6EF570, 8 bytes long.
 Data: <&#208;:I!V   > D0 3A 49 21 56 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000002561F6EE600, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002561F6E6960, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x000002561F6F5F00, 16 bytes long.
 Data: <&#216;co V           > D8 63 6F 1F 56 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002561F6F54B0, 16 bytes long.
 Data: <&#176;co V           > B0 63 6F 1F 56 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002561F6F13E0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x000002561F6F5E10, 16 bytes long.
 Data: < co V           > 88 63 6F 1F 56 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002561F6F5190, 16 bytes long.
 Data: <`co V           > 60 63 6F 1F 56 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002561F6F53C0, 16 bytes long.
 Data: <8co V           > 38 63 6F 1F 56 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002561F6F5690, 16 bytes long.
 Data: < co V           > 10 63 6F 1F 56 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002561F6F4B00, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x000002561F6F5DC0, 16 bytes long.
 Data: <(&#230;m V           > 28 E6 6D 1F 56 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002561F6F0840, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x000002561F6F57D0, 16 bytes long.
 Data: < &#230;m V           > 00 E6 6D 1F 56 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002561F6F51E0, 16 bytes long.
 Data: <&#216;&#229;m V           > D8 E5 6D 1F 56 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002561F6F5640, 16 bytes long.
 Data: <&#176;&#229;m V           > B0 E5 6D 1F 56 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002561F6F5FF0, 16 bytes long.
 Data: < &#229;m V           > 88 E5 6D 1F 56 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002561F6F5870, 16 bytes long.
 Data: <`&#229;m V           > 60 E5 6D 1F 56 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002561F6F5410, 16 bytes long.
 Data: <8&#229;m V           > 38 E5 6D 1F 56 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002561F6F0DE0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x000002561F6F5EB0, 16 bytes long.
 Data: < &#229;m V           > 10 E5 6D 1F 56 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002561F6DE510, 320 bytes long.
 Data: <&#176;^o V   &#224; o V   > B0 5E 6F 1F 56 02 00 00 E0 0D 6F 1F 56 02 00 00 
{275} normal block at 0x000002561F6F5AF0, 16 bytes long.
 Data: <&#240;bo V           > F0 62 6F 1F 56 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002561F6F5140, 16 bytes long.
 Data: <&#200;bo V           > C8 62 6F 1F 56 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002561F6F0720, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x000002561F6F5BE0, 16 bytes long.
 Data: <&#160;bo V           > A0 62 6F 1F 56 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002561F6F07E0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x000002561F6F5D20, 16 bytes long.
 Data: <&#232;ao V           > E8 61 6F 1F 56 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002561F6F5D70, 16 bytes long.
 Data: <&#192;ao V           > C0 61 6F 1F 56 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002561F6F59B0, 16 bytes long.
 Data: < ao V           > 98 61 6F 1F 56 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002561F6F5730, 16 bytes long.
 Data: <pao V           > 70 61 6F 1F 56 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002561F6F52D0, 16 bytes long.
 Data: <Hao V           > 48 61 6F 1F 56 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002561F6F5500, 16 bytes long.
 Data: < ao V           > 20 61 6F 1F 56 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002561F6F55F0, 16 bytes long.
 Data: <`Ho V           > 60 48 6F 1F 56 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002561F6F4860, 40 bytes long.
 Data: <&#240;Uo V   @?C!V   > F0 55 6F 1F 56 02 00 00 40 3F 43 21 56 02 00 00 
{261} normal block at 0x000002561F6F5CD0, 16 bytes long.
 Data: < ao V           > 00 61 6F 1F 56 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002561F6F5780, 16 bytes long.
 Data: <&#216;`o V           > D8 60 6F 1F 56 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002561F6F0540, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x000002561F6F56E0, 16 bytes long.
 Data: <&#176;`o V           > B0 60 6F 1F 56 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002561F6F60B0, 992 bytes long.
 Data: <&#224;Vo V   @ o V   > E0 56 6F 1F 56 02 00 00 40 05 6F 1F 56 02 00 00 
{93} normal block at 0x000002561F6F11A0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x000002561F6F0290, 16 bytes long.
 Data: < &#193;m V           > 00 C1 6D 1F 56 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000002561F6DC100, 40 bytes long.
 Data: <  o V   &#160; o V   > 90 02 6F 1F 56 02 00 00 A0 11 6F 1F 56 02 00 00 
{70} normal block at 0x000002561F6EFF70, 16 bytes long.
 Data: < &#234;&#198;b&#247;           > 80 EA C6 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002561F6EF8E0, 16 bytes long.
 Data: <@&#233;&#198;b&#247;           > 40 E9 C6 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002561F6EFA70, 16 bytes long.
 Data: <&#248;W&#195;b&#247;           > F8 57 C3 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002561F6EF890, 16 bytes long.
 Data: <&#216;W&#195;b&#247;           > D8 57 C3 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002561F6EFF20, 16 bytes long.
 Data: <P &#195;b&#247;           > 50 04 C3 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002561F6EFDE0, 16 bytes long.
 Data: <0 &#195;b&#247;           > 30 04 C3 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002561F6EFE30, 16 bytes long.
 Data: <&#224; &#195;b&#247;           > E0 02 C3 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002561F6F01F0, 16 bytes long.
 Data: <  &#195;b&#247;           > 10 04 C3 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002561F6EF7F0, 16 bytes long.
 Data: <p &#195;b&#247;           > 70 04 C3 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002561F6EF4D0, 16 bytes long.
 Data: < &#192;&#193;b&#247;           > 18 C0 C1 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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