Task 38698620

Name test_154-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND5883_1
Workunit 31630578
Created 2 Nov 2026, 20:05:44 UTC
Sent 2 Nov 2026, 20:05:49 UTC
Report deadline 7 Nov 2026, 20:05:49 UTC
Received 2 Nov 2026, 20:38:45 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 613945
Run time 28 min 6 sec
CPU time 26 min 31 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 22,329.38 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 710.43 MB
Peak swap size 9.90 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
15:10:54 (834716): wrapper (7.9.26016): starting
15:10:54 (834716): 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
15:10:56 (834716): Library/usr/bin/tar.exe exited; CPU time 0.031250
15:10:56 (834716): 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\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 'C:\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
15:38:20 (834716): C:/Windows/system32/cmd.exe exited; CPU time 1590.968750
15:38:20 (834716): 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: 24214177 bytes.
Dumping objects ->
{3835592} normal block at 0x000001194EBA12C0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835581} normal block at 0x000001194EBA1560, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835570} normal block at 0x000001194EBA0A70, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835559} normal block at 0x000001194EBA14F0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835548} normal block at 0x000001194EBA1410, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835517} normal block at 0x000001194EC4D710, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835506} normal block at 0x000001194ECAEA60, 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) : {3835503} normal block at 0x000001194CFE82B0, 8 bytes long.
 Data: <  &#244;L    > 00 00 F4 4C 19 01 00 00 
{3834704} normal block at 0x000001194ECAEDD0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833955} normal block at 0x000001194CFE8260, 8 bytes long.
 Data: < &#174;&#253;L    > 90 AE FD 4C 19 01 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000001194CFF32E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001194CFEDFD0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x000001194CFF4230, 16 bytes long.
 Data: < U&#255;L            > 88 55 FF 4C 19 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001194CFF4190, 16 bytes long.
 Data: <`U&#255;L            > 60 55 FF 4C 19 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001194CFEEA20, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x000001194CFF48C0, 16 bytes long.
 Data: <8U&#255;L            > 38 55 FF 4C 19 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001194CFF4780, 16 bytes long.
 Data: < U&#255;L            > 10 55 FF 4C 19 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001194CFF4140, 16 bytes long.
 Data: <&#232;T&#255;L            > E8 54 FF 4C 19 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001194CFF4640, 16 bytes long.
 Data: <&#192;T&#255;L            > C0 54 FF 4C 19 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001194CFED280, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x000001194CFF4AF0, 16 bytes long.
 Data: <h&#223;&#254;L            > 68 DF FE 4C 19 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001194CFEE9C0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x000001194CFF4410, 16 bytes long.
 Data: <@&#223;&#254;L            > 40 DF FE 4C 19 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001194CFF4F50, 16 bytes long.
 Data: < &#223;&#254;L            > 18 DF FE 4C 19 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001194CFF4C80, 16 bytes long.
 Data: <&#240;&#222;&#254;L            > F0 DE FE 4C 19 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001194CFF4E10, 16 bytes long.
 Data: <&#200;&#222;&#254;L            > C8 DE FE 4C 19 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001194CFF4F00, 16 bytes long.
 Data: <&#160;&#222;&#254;L            > A0 DE FE 4C 19 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001194CFF4D20, 16 bytes long.
 Data: <x&#222;&#254;L            > 78 DE FE 4C 19 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001194CFEE660, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x000001194CFF4870, 16 bytes long.
 Data: <P&#222;&#254;L            > 50 DE FE 4C 19 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001194CFEDE50, 320 bytes long.
 Data: <pH&#255;L    `&#230;&#254;L    > 70 48 FF 4C 19 01 00 00 60 E6 FE 4C 19 01 00 00 
{273} normal block at 0x000001194CFF4FF0, 16 bytes long.
 Data: <&#160;T&#255;L            > A0 54 FF 4C 19 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001194CFF40F0, 16 bytes long.
 Data: <xT&#255;L            > 78 54 FF 4C 19 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001194CFEEB40, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x000001194CFF41E0, 16 bytes long.
 Data: <PT&#255;L            > 50 54 FF 4C 19 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001194CFEEE40, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x000001194CFF4EB0, 16 bytes long.
 Data: < S&#255;L            > 98 53 FF 4C 19 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001194CFF45F0, 16 bytes long.
 Data: <pS&#255;L            > 70 53 FF 4C 19 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001194CFF45A0, 16 bytes long.
 Data: <HS&#255;L            > 48 53 FF 4C 19 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001194CFF4B40, 16 bytes long.
 Data: < S&#255;L            > 20 53 FF 4C 19 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001194CFF5040, 16 bytes long.
 Data: <&#248;R&#255;L            > F8 52 FF 4C 19 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001194CFF4AA0, 16 bytes long.
 Data: <&#208;R&#255;L            > D0 52 FF 4C 19 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001194CFF4730, 16 bytes long.
 Data: <&#176;&#205;&#254;L            > B0 CD FE 4C 19 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001194CFECDB0, 40 bytes long.
 Data: <0G&#255;L     &#215;&#196;N    > 30 47 FF 4C 19 01 00 00 10 D7 C4 4E 19 01 00 00 
{259} normal block at 0x000001194CFF4960, 16 bytes long.
 Data: <&#176;R&#255;L            > B0 52 FF 4C 19 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001194CFF46E0, 16 bytes long.
 Data: < R&#255;L            > 88 52 FF 4C 19 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001194CFEE960, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x000001194CFF4820, 16 bytes long.
 Data: <`R&#255;L            > 60 52 FF 4C 19 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001194CFF5260, 992 bytes long.
 Data: < H&#255;L    `&#233;&#254;L    > 20 48 FF 4C 19 01 00 00 60 E9 FE 4C 19 01 00 00 
{91} normal block at 0x000001194CFEE900, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x000001194CFE8210, 16 bytes long.
 Data: <&#240;&#210;&#254;L            > F0 D2 FE 4C 19 01 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x000001194CFED2F0, 40 bytes long.
 Data: < &#130;&#254;L     &#233;&#254;L    > 10 82 FE 4C 19 01 00 00 00 E9 FE 4C 19 01 00 00 
{68} normal block at 0x000001194CFE81C0, 16 bytes long.
 Data: < &#234;%;&#247;           > 80 EA 25 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001194CFE8A80, 16 bytes long.
 Data: <@&#233;%;&#247;           > 40 E9 25 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001194CFE8760, 16 bytes long.
 Data: <&#248;W";&#247;           > F8 57 22 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001194CFE8620, 16 bytes long.
 Data: <&#216;W";&#247;           > D8 57 22 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001194CFE7F90, 16 bytes long.
 Data: <P ";&#247;           > 50 04 22 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001194CFE8BC0, 16 bytes long.
 Data: <0 ";&#247;           > 30 04 22 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001194CFE8580, 16 bytes long.
 Data: <&#224; ";&#247;           > E0 02 22 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001194CFE8710, 16 bytes long.
 Data: <  ";&#247;           > 10 04 22 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001194CFE7F40, 16 bytes long.
 Data: <p ";&#247;           > 70 04 22 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001194CFE8170, 16 bytes long.
 Data: < &#192; ;&#247;           > 18 C0 20 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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