Task 38661107

Name test_114-GPUGRID_TEST_ATM_40STEP_20261023-8-40-RND8775_0
Workunit 31604551
Created 24 Oct 2026, 15:14:03 UTC
Sent 24 Oct 2026, 16:10:37 UTC
Report deadline 29 Oct 2026, 16:10:37 UTC
Received 24 Oct 2026, 20:39:54 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 618813
Run time 31 min 35 sec
CPU time 30 min 43 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 86,019.63 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 727.80 MB
Peak swap size 13.18 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
12:42:14 (41364): wrapper (7.9.26016): starting
12:42:14 (41364): 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
12:42:15 (41364): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:42:15 (41364): 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
13:12:58 (41364): C:/Windows/system32/cmd.exe exited; CPU time 1843.312500
13:12:58 (41364): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 59112713 bytes.
Dumping objects ->
{3835426} normal block at 0x00000159E0DE1020, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835415} normal block at 0x00000159E0DE0ED0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835404} normal block at 0x00000159E0DE0FB0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835393} normal block at 0x00000159E0DE0920, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835382} normal block at 0x00000159E0DE0F40, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835351} normal block at 0x00000159DF27FCB0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835340} normal block at 0x00000159DF2B5010, 140 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) : {3835337} normal block at 0x00000159DF24CFC0, 8 bytes long.
 Data: <  &#203;&#224;Y   > 00 00 CB E0 59 01 00 00 
{3834683} normal block at 0x00000159DF2B4E70, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3834035} normal block at 0x00000159DF24CE30, 8 bytes long.
 Data: <&#224;&#217;2&#223;Y   > E0 D9 32 DF 59 01 00 00 
..\zip\boinc_zip.cpp(122) : {349} normal block at 0x00000159DF23E5F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{334} normal block at 0x00000159DF244C40, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{333} normal block at 0x00000159DF25B3B0, 16 bytes long.
 Data: <H}%&#223;Y           > 48 7D 25 DF 59 01 00 00 00 00 00 00 00 00 00 00 
{332} normal block at 0x00000159DF25B2C0, 16 bytes long.
 Data: < }%&#223;Y           > 20 7D 25 DF 59 01 00 00 00 00 00 00 00 00 00 00 
{331} normal block at 0x00000159DF2543F0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{330} normal block at 0x00000159DF25B220, 16 bytes long.
 Data: <&#248;|%&#223;Y           > F8 7C 25 DF 59 01 00 00 00 00 00 00 00 00 00 00 
{329} normal block at 0x00000159DF25B400, 16 bytes long.
 Data: <&#208;|%&#223;Y           > D0 7C 25 DF 59 01 00 00 00 00 00 00 00 00 00 00 
{328} normal block at 0x00000159DF25B1D0, 16 bytes long.
 Data: <&#168;|%&#223;Y           > A8 7C 25 DF 59 01 00 00 00 00 00 00 00 00 00 00 
{327} normal block at 0x00000159DF25B180, 16 bytes long.
 Data: < |%&#223;Y           > 80 7C 25 DF 59 01 00 00 00 00 00 00 00 00 00 00 
{326} normal block at 0x00000159DF258950, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{325} normal block at 0x00000159DF25BE00, 16 bytes long.
 Data: <&#248;&#246;#&#223;Y           > F8 F6 23 DF 59 01 00 00 00 00 00 00 00 00 00 00 
{324} normal block at 0x00000159DF254750, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{323} normal block at 0x00000159DF25B720, 16 bytes long.
 Data: <&#208;&#246;#&#223;Y           > D0 F6 23 DF 59 01 00 00 00 00 00 00 00 00 00 00 
{321} normal block at 0x00000159DF25BBD0, 16 bytes long.
 Data: <&#168;&#246;#&#223;Y           > A8 F6 23 DF 59 01 00 00 00 00 00 00 00 00 00 00 
{320} normal block at 0x00000159DF25BDB0, 16 bytes long.
 Data: < &#246;#&#223;Y           > 80 F6 23 DF 59 01 00 00 00 00 00 00 00 00 00 00 
{319} normal block at 0x00000159DF25B9A0, 16 bytes long.
 Data: <X&#246;#&#223;Y           > 58 F6 23 DF 59 01 00 00 00 00 00 00 00 00 00 00 
{318} normal block at 0x00000159DF25BC70, 16 bytes long.
 Data: <0&#246;#&#223;Y           > 30 F6 23 DF 59 01 00 00 00 00 00 00 00 00 00 00 
{317} normal block at 0x00000159DF25BFE0, 16 bytes long.
 Data: < &#246;#&#223;Y           > 08 F6 23 DF 59 01 00 00 00 00 00 00 00 00 00 00 
{316} normal block at 0x00000159DF2545D0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{315} normal block at 0x00000159DF25BF90, 16 bytes long.
 Data: <&#224;&#245;#&#223;Y           > E0 F5 23 DF 59 01 00 00 00 00 00 00 00 00 00 00 
{314} normal block at 0x00000159DF23F5E0, 320 bytes long.
 Data: < &#191;%&#223;Y   &#208;E%&#223;Y   > 90 BF 25 DF 59 01 00 00 D0 45 25 DF 59 01 00 00 
{313} normal block at 0x00000159DF25BB80, 16 bytes long.
 Data: <`|%&#223;Y           > 60 7C 25 DF 59 01 00 00 00 00 00 00 00 00 00 00 
{312} normal block at 0x00000159DF25B0E0, 16 bytes long.
 Data: <8|%&#223;Y           > 38 7C 25 DF 59 01 00 00 00 00 00 00 00 00 00 00 
{311} normal block at 0x00000159DF254210, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{310} normal block at 0x00000159DF25BCC0, 16 bytes long.
 Data: < |%&#223;Y           > 10 7C 25 DF 59 01 00 00 00 00 00 00 00 00 00 00 
{309} normal block at 0x00000159DF2541B0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{308} normal block at 0x00000159DF25B360, 16 bytes long.
 Data: <X{%&#223;Y           > 58 7B 25 DF 59 01 00 00 00 00 00 00 00 00 00 00 
{307} normal block at 0x00000159DF25BAE0, 16 bytes long.
 Data: <0{%&#223;Y           > 30 7B 25 DF 59 01 00 00 00 00 00 00 00 00 00 00 
{306} normal block at 0x00000159DF25B450, 16 bytes long.
 Data: < {%&#223;Y           > 08 7B 25 DF 59 01 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x00000159DF25BA90, 16 bytes long.
 Data: <&#224;z%&#223;Y           > E0 7A 25 DF 59 01 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x00000159DF25B9F0, 16 bytes long.
 Data: <&#184;z%&#223;Y           > B8 7A 25 DF 59 01 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x00000159DF25B6D0, 16 bytes long.
 Data: < z%&#223;Y           > 90 7A 25 DF 59 01 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x00000159DF25B310, 16 bytes long.
 Data: <  %&#223;Y           > 00 8F 25 DF 59 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x00000159DF258F00, 40 bytes long.
 Data: < &#179;%&#223;Y   &#176;&#252;'&#223;Y   > 10 B3 25 DF 59 01 00 00 B0 FC 27 DF 59 01 00 00 
{299} normal block at 0x00000159DF25BF40, 16 bytes long.
 Data: <pz%&#223;Y           > 70 7A 25 DF 59 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000159DF25B900, 16 bytes long.
 Data: <Hz%&#223;Y           > 48 7A 25 DF 59 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000159DF2547B0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{296} normal block at 0x00000159DF25BEF0, 16 bytes long.
 Data: < z%&#223;Y           > 20 7A 25 DF 59 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000159DF257A20, 992 bytes long.
 Data: <&#240;&#190;%&#223;Y   &#176;G%&#223;Y   > F0 BE 25 DF 59 01 00 00 B0 47 25 DF 59 01 00 00 
{131} normal block at 0x00000159DF253D30, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{130} normal block at 0x00000159DF24D330, 16 bytes long.
 Data: <@ %&#223;Y           > 40 8D 25 DF 59 01 00 00 00 00 00 00 00 00 00 00 
{129} normal block at 0x00000159DF258D40, 40 bytes long.
 Data: <0&#211;$&#223;Y   0=%&#223;Y   > 30 D3 24 DF 59 01 00 00 30 3D 25 DF 59 01 00 00 
{108} normal block at 0x00000159DF24CA20, 16 bytes long.
 Data: < &#234;&#134; &#247;           > 80 EA 86 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{107} normal block at 0x00000159DF24CCA0, 16 bytes long.
 Data: <@&#233;&#134; &#247;           > 40 E9 86 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{106} normal block at 0x00000159DF24D420, 16 bytes long.
 Data: <&#248;W&#131; &#247;           > F8 57 83 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{105} normal block at 0x00000159DF24CDE0, 16 bytes long.
 Data: <&#216;W&#131; &#247;           > D8 57 83 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{104} normal block at 0x00000159DF24D790, 16 bytes long.
 Data: <P &#131; &#247;           > 50 04 83 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{103} normal block at 0x00000159DF24D740, 16 bytes long.
 Data: <0 &#131; &#247;           > 30 04 83 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{102} normal block at 0x00000159DF24CC00, 16 bytes long.
 Data: <&#224; &#131; &#247;           > E0 02 83 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{101} normal block at 0x00000159DF24D6F0, 16 bytes long.
 Data: <  &#131; &#247;           > 10 04 83 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{100} normal block at 0x00000159DF24CD40, 16 bytes long.
 Data: <p &#131; &#247;           > 70 04 83 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{99} normal block at 0x00000159DF24D6A0, 16 bytes long.
 Data: < &#192;  &#247;           > 18 C0 81 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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