Task 38674412

Name test_295-GPUGRID_TEST_ATM_40STEP_20261023-19-40-RND6850_0
Workunit 31616450
Created 26 Oct 2026, 5:12:46 UTC
Sent 26 Oct 2026, 5:12:51 UTC
Report deadline 31 Oct 2026, 5:12:51 UTC
Received 26 Oct 2026, 14:50:34 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654663
Run time 21 min 16 sec
CPU time 18 min 29 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 82,578.99 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 728.38 MB
Peak swap size 8.63 GB
Peak disk usage 3.77 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
15:30:19 (10980): wrapper (7.9.26016): starting
15:30:19 (10980): 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
15:30:20 (10980): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:30:20 (10980): 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
15:50:08 (10980): C:/Windows/system32/cmd.exe exited; CPU time 1109.640625
15:50:08 (10980): 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: 26284865 bytes.
Dumping objects ->
{3835219} normal block at 0x000001A929BAF970, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835208} normal block at 0x000001A929BAFC10, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835197} normal block at 0x000001A929BAFA50, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835186} normal block at 0x000001A929BAFDD0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835175} normal block at 0x000001A927D555A0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835144} normal block at 0x000001A929BF66D0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835133} normal block at 0x000001A929C10FB0, 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) : {3835130} normal block at 0x000001A927D4D440, 8 bytes long.
 Data: <  '(&#169;   > 00 00 27 28 A9 01 00 00 
{3834536} normal block at 0x000001A929C10B90, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x000001A927D4DAD0, 8 bytes long.
 Data: < &#216;&#226;'&#169;   > 00 D8 E2 27 A9 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001A927D517E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001A927D45880, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x000001A927D567E0, 16 bytes long.
 Data: <&#200;k&#213;'&#169;           > C8 6B D5 27 A9 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001A927D56100, 16 bytes long.
 Data: <&#160;k&#213;'&#169;           > A0 6B D5 27 A9 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001A927D4FA60, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x000001A927D55C50, 16 bytes long.
 Data: <xk&#213;'&#169;           > 78 6B D5 27 A9 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001A927D56330, 16 bytes long.
 Data: <Pk&#213;'&#169;           > 50 6B D5 27 A9 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001A927D56150, 16 bytes long.
 Data: <(k&#213;'&#169;           > 28 6B D5 27 A9 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001A927D55A70, 16 bytes long.
 Data: < k&#213;'&#169;           > 00 6B D5 27 A9 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001A927D55680, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x000001A927D55C00, 16 bytes long.
 Data: <H&#137;&#212;'&#169;           > 48 89 D4 27 A9 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001A927D4F160, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x000001A927D566A0, 16 bytes long.
 Data: < &#137;&#212;'&#169;           > 20 89 D4 27 A9 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001A927D55BB0, 16 bytes long.
 Data: <&#248; &#212;'&#169;           > F8 88 D4 27 A9 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001A927D56650, 16 bytes long.
 Data: <&#208; &#212;'&#169;           > D0 88 D4 27 A9 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001A927D56010, 16 bytes long.
 Data: <&#168; &#212;'&#169;           > A8 88 D4 27 A9 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001A927D56790, 16 bytes long.
 Data: <  &#212;'&#169;           > 80 88 D4 27 A9 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001A927D56740, 16 bytes long.
 Data: <X &#212;'&#169;           > 58 88 D4 27 A9 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001A927D4F5E0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x000001A927D562E0, 16 bytes long.
 Data: <0 &#212;'&#169;           > 30 88 D4 27 A9 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001A927D48830, 320 bytes long.
 Data: <&#224;b&#213;'&#169;   &#224;&#245;&#212;'&#169;   > E0 62 D5 27 A9 01 00 00 E0 F5 D4 27 A9 01 00 00 
{276} normal block at 0x000001A927D56290, 16 bytes long.
 Data: <&#224;j&#213;'&#169;           > E0 6A D5 27 A9 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001A927D55D90, 16 bytes long.
 Data: <&#184;j&#213;'&#169;           > B8 6A D5 27 A9 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001A927D4F8E0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x000001A927D56600, 16 bytes long.
 Data: < j&#213;'&#169;           > 90 6A D5 27 A9 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001A927D4F520, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x000001A927D55F20, 16 bytes long.
 Data: <&#216;i&#213;'&#169;           > D8 69 D5 27 A9 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001A927D560B0, 16 bytes long.
 Data: <&#176;i&#213;'&#169;           > B0 69 D5 27 A9 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001A927D55CA0, 16 bytes long.
 Data: < i&#213;'&#169;           > 88 69 D5 27 A9 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001A927D563D0, 16 bytes long.
 Data: <`i&#213;'&#169;           > 60 69 D5 27 A9 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001A927D56240, 16 bytes long.
 Data: <8i&#213;'&#169;           > 38 69 D5 27 A9 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001A927D566F0, 16 bytes long.
 Data: < i&#213;'&#169;           > 10 69 D5 27 A9 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001A927D56380, 16 bytes long.
 Data: <&#208;W&#213;'&#169;           > D0 57 D5 27 A9 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001A927D557D0, 40 bytes long.
 Data: < c&#213;'&#169;   &#208;f&#191;)&#169;   > 80 63 D5 27 A9 01 00 00 D0 66 BF 29 A9 01 00 00 
{262} normal block at 0x000001A927D56830, 16 bytes long.
 Data: <&#240;h&#213;'&#169;           > F0 68 D5 27 A9 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001A927D56060, 16 bytes long.
 Data: <&#200;h&#213;'&#169;           > C8 68 D5 27 A9 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001A927D4F700, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x000001A927D55A20, 16 bytes long.
 Data: <&#160;h&#213;'&#169;           > A0 68 D5 27 A9 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001A927D568A0, 992 bytes long.
 Data: < Z&#213;'&#169;    &#247;&#212;'&#169;   > 20 5A D5 27 A9 01 00 00 00 F7 D4 27 A9 01 00 00 
{94} normal block at 0x000001A927D4FF40, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x000001A927D4DE90, 16 bytes long.
 Data: <`W&#213;'&#169;           > 60 57 D5 27 A9 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001A927D55760, 40 bytes long.
 Data: < &#222;&#212;'&#169;   @&#255;&#212;'&#169;   > 90 DE D4 27 A9 01 00 00 40 FF D4 27 A9 01 00 00 
{71} normal block at 0x000001A927D4DF80, 16 bytes long.
 Data: < &#234;  &#247;           > 80 EA 18 0C F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001A927D4D9E0, 16 bytes long.
 Data: <@&#233;  &#247;           > 40 E9 18 0C F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001A927D4D8A0, 16 bytes long.
 Data: <&#248;W  &#247;           > F8 57 15 0C F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001A927D4D710, 16 bytes long.
 Data: <&#216;W  &#247;           > D8 57 15 0C F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001A927D4E1B0, 16 bytes long.
 Data: <P   &#247;           > 50 04 15 0C F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001A927D4E110, 16 bytes long.
 Data: <0   &#247;           > 30 04 15 0C F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001A927D4DFD0, 16 bytes long.
 Data: <&#224;   &#247;           > E0 02 15 0C F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001A927D4D530, 16 bytes long.
 Data: <    &#247;           > 10 04 15 0C F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001A927D4DC10, 16 bytes long.
 Data: <p   &#247;           > 70 04 15 0C F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001A927D4D850, 16 bytes long.
 Data: < &#192;  &#247;           > 18 C0 13 0C F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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