Task 38696608

Name test_801-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND9835_1
Workunit 31622719
Created 1 Nov 2026, 2:18:46 UTC
Sent 1 Nov 2026, 2:18:47 UTC
Report deadline 6 Nov 2026, 2:18:47 UTC
Received 1 Nov 2026, 2:58:17 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 641842
Run time 38 min 5 sec
CPU time 35 min 38 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,394.34 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 714.56 MB
Peak swap size 6.86 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
21:21:11 (10904): wrapper (7.9.26016): starting
21:21:11 (10904): 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
21:21:12 (10904): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:21:12 (10904): 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\12\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\12\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
21:57:42 (10904): C:/Windows/system32/cmd.exe exited; CPU time 2138.640625
21:57:42 (10904): 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: 38684137 bytes.
Dumping objects ->
{3835249} normal block at 0x0000022656244AD0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835238} normal block at 0x0000022656244910, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835227} normal block at 0x0000022656244C20, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835216} normal block at 0x0000022656244A60, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835205} normal block at 0x0000022656244980, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835174} normal block at 0x0000022657EBB3D0, 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) : {3835161} normal block at 0x000002265623FDE0, 8 bytes long.
 Data: <  gV&   > 00 00 67 56 26 02 00 00 
{3833955} normal block at 0x000002265623F840, 8 bytes long.
 Data: < &#235;1V&   > 00 EB 31 56 26 02 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x00000226562412F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000022656236390, 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 0x0000022656246030, 16 bytes long.
 Data: <(V$V&           > 28 56 24 56 26 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000226562460D0, 16 bytes long.
 Data: < V$V&           > 00 56 24 56 26 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002265623ECB0, 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 0x0000022656245770, 16 bytes long.
 Data: <&#216;U$V&           > D8 55 24 56 26 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000022656246080, 16 bytes long.
 Data: <&#176;U$V&           > B0 55 24 56 26 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000022656245D10, 16 bytes long.
 Data: < U$V&           > 88 55 24 56 26 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000022656245BD0, 16 bytes long.
 Data: <`U$V&           > 60 55 24 56 26 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000226562449F0, 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 0x0000022656245C70, 16 bytes long.
 Data: <&#216; #V&           > D8 8F 23 56 26 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002265623E9B0, 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 0x00000226562459A0, 16 bytes long.
 Data: <&#176; #V&           > B0 8F 23 56 26 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000022656245A40, 16 bytes long.
 Data: <  #V&           > 88 8F 23 56 26 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000022656245860, 16 bytes long.
 Data: <` #V&           > 60 8F 23 56 26 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000022656245E00, 16 bytes long.
 Data: <8 #V&           > 38 8F 23 56 26 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000226562463A0, 16 bytes long.
 Data: <  #V&           > 10 8F 23 56 26 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000226562457C0, 16 bytes long.
 Data: <&#232;&#142;#V&           > E8 8E 23 56 26 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002265623F2B0, 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 0x0000022656245900, 16 bytes long.
 Data: <&#192;&#142;#V&           > C0 8E 23 56 26 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000022656238EC0, 320 bytes long.
 Data: < Y$V&   &#176;&#242;#V&   > 00 59 24 56 26 02 00 00 B0 F2 23 56 26 02 00 00 
{273} normal block at 0x0000022656245F90, 16 bytes long.
 Data: <@U$V&           > 40 55 24 56 26 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000226562465D0, 16 bytes long.
 Data: < U$V&           > 18 55 24 56 26 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002265623E890, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x0000022656246210, 16 bytes long.
 Data: <&#240;T$V&           > F0 54 24 56 26 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002265623E710, 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 0x0000022656245FE0, 16 bytes long.
 Data: <8T$V&           > 38 54 24 56 26 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000226562461C0, 16 bytes long.
 Data: < T$V&           > 10 54 24 56 26 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000022656246260, 16 bytes long.
 Data: <&#232;S$V&           > E8 53 24 56 26 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000022656245F40, 16 bytes long.
 Data: <&#192;S$V&           > C0 53 24 56 26 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000022656245810, 16 bytes long.
 Data: < S$V&           > 98 53 24 56 26 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000022656240470, 16 bytes long.
 Data: <pS$V&           > 70 53 24 56 26 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000022656240420, 16 bytes long.
 Data: < F$V&           > 00 46 24 56 26 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000022656244600, 40 bytes long.
 Data: <  $V&   &#208;&#179;&#235;W&   > 20 04 24 56 26 02 00 00 D0 B3 EB 57 26 02 00 00 
{259} normal block at 0x0000022656240560, 16 bytes long.
 Data: <PS$V&           > 50 53 24 56 26 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000022656240100, 16 bytes long.
 Data: <(S$V&           > 28 53 24 56 26 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002265623F010, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x000002265623FE30, 16 bytes long.
 Data: < S$V&           > 00 53 24 56 26 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000022656245300, 992 bytes long.
 Data: <0&#254;#V&    &#240;#V&   > 30 FE 23 56 26 02 00 00 10 F0 23 56 26 02 00 00 
{91} normal block at 0x000002265623F190, 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 0x000002265623F6B0, 16 bytes long.
 Data: < &#238;"V&           > 80 EE 22 56 26 02 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x000002265622EE80, 40 bytes long.
 Data: <&#176;&#246;#V&    &#241;#V&   > B0 F6 23 56 26 02 00 00 90 F1 23 56 26 02 00 00 
{68} normal block at 0x000002265623FFC0, 16 bytes long.
 Data: < &#234;vq&#246;           > 80 EA 76 71 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002265623F700, 16 bytes long.
 Data: <@&#233;vq&#246;           > 40 E9 76 71 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002265623FAC0, 16 bytes long.
 Data: <&#248;Wsq&#246;           > F8 57 73 71 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002265623FA70, 16 bytes long.
 Data: <&#216;Wsq&#246;           > D8 57 73 71 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000226562401F0, 16 bytes long.
 Data: <P sq&#246;           > 50 04 73 71 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002265623F7F0, 16 bytes long.
 Data: <0 sq&#246;           > 30 04 73 71 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002265623FA20, 16 bytes long.
 Data: <&#224; sq&#246;           > E0 02 73 71 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000226562405B0, 16 bytes long.
 Data: <  sq&#246;           > 10 04 73 71 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000022656240510, 16 bytes long.
 Data: <p sq&#246;           > 70 04 73 71 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000226562401A0, 16 bytes long.
 Data: < &#192;qq&#246;           > 18 C0 71 71 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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