Task 38689825

Name test_652-GPUGRID_TEST_ATM_40STEP_20261023-16-40-RND4173_1
Workunit 31631016
Created 28 Oct 2026, 23:53:13 UTC
Sent 28 Oct 2026, 23:53:21 UTC
Report deadline 2 Nov 2026, 23:53:21 UTC
Received 29 Oct 2026, 0:33:13 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 618582
Run time 16 min 22 sec
CPU time 15 min 12 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 83,070.51 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 752.06 MB
Peak swap size 13.15 GB
Peak disk usage 3.91 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:16:46 (15196): wrapper (7.9.26016): starting
17:16:46 (15196): 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
17:16:47 (15196): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:16:47 (15196): 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
17:32:39 (15196): C:/Windows/system32/cmd.exe exited; CPU time 912.734375
17:32:39 (15196): called boinc_finish(0)
0 bytes in 0 Free Blocks.
566 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: 19166485 bytes.
Dumping objects ->
{3835569} normal block at 0x000001E59E42CE40, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835558} normal block at 0x000001E59C814AC0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835547} normal block at 0x000001E59C814A50, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835536} normal block at 0x000001E59C8149E0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835525} normal block at 0x000001E59C814970, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835494} normal block at 0x000001E59E478800, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835483} normal block at 0x000001E59E3A0650, 155 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) : {3835480} normal block at 0x000001E59C80ECC0, 8 bytes long.
 Data: <  &#216;&#156;&#229;   > 00 00 D8 9C E5 01 00 00 
{3834699} normal block at 0x000001E59E3A02D0, 155 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 0x000001E59C80E2C0, 8 bytes long.
 Data: < &#228;8&#158;&#229;   > 80 E4 38 9E E5 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001E59C810DE0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001E59C805B60, 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 0x000001E59C815800, 16 bytes long.
 Data: <&#184;^ &#156;&#229;           > B8 5E 81 9C E5 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001E59C8159E0, 16 bytes long.
 Data: < ^ &#156;&#229;           > 90 5E 81 9C E5 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001E59C80FE00, 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 0x000001E59C815210, 16 bytes long.
 Data: <h^ &#156;&#229;           > 68 5E 81 9C E5 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001E59C814CC0, 16 bytes long.
 Data: <@^ &#156;&#229;           > 40 5E 81 9C E5 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001E59C814D10, 16 bytes long.
 Data: < ^ &#156;&#229;           > 18 5E 81 9C E5 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001E59C814EF0, 16 bytes long.
 Data: <&#240;] &#156;&#229;           > F0 5D 81 9C E5 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001E59C8143C0, 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 0x000001E59C815940, 16 bytes long.
 Data: < &#222; &#156;&#229;           > 18 DE 80 9C E5 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001E59C80F5C0, 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 0x000001E59C8156C0, 16 bytes long.
 Data: <&#240;&#221; &#156;&#229;           > F0 DD 80 9C E5 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001E59C8157B0, 16 bytes long.
 Data: <&#200;&#221; &#156;&#229;           > C8 DD 80 9C E5 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001E59C8158F0, 16 bytes long.
 Data: <&#160;&#221; &#156;&#229;           > A0 DD 80 9C E5 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001E59C814F90, 16 bytes long.
 Data: <x&#221; &#156;&#229;           > 78 DD 80 9C E5 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001E59C8151C0, 16 bytes long.
 Data: <P&#221; &#156;&#229;           > 50 DD 80 9C E5 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001E59C814C70, 16 bytes long.
 Data: <(&#221; &#156;&#229;           > 28 DD 80 9C E5 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001E59C80F560, 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 0x000001E59C814EA0, 16 bytes long.
 Data: < &#221; &#156;&#229;           > 00 DD 80 9C E5 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001E59C80DD00, 320 bytes long.
 Data: <&#160;N &#156;&#229;   `&#245; &#156;&#229;   > A0 4E 81 9C E5 01 00 00 60 F5 80 9C E5 01 00 00 
{276} normal block at 0x000001E59C8155D0, 16 bytes long.
 Data: <&#208;] &#156;&#229;           > D0 5D 81 9C E5 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001E59C815170, 16 bytes long.
 Data: <&#168;] &#156;&#229;           > A8 5D 81 9C E5 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001E59C80FD40, 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 0x000001E59C815120, 16 bytes long.
 Data: < ] &#156;&#229;           > 80 5D 81 9C E5 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001E59C80FC20, 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 0x000001E59C814E50, 16 bytes long.
 Data: <&#200;\ &#156;&#229;           > C8 5C 81 9C E5 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001E59C8158A0, 16 bytes long.
 Data: <&#160;\ &#156;&#229;           > A0 5C 81 9C E5 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001E59C815B20, 16 bytes long.
 Data: <x\ &#156;&#229;           > 78 5C 81 9C E5 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001E59C8153A0, 16 bytes long.
 Data: <P\ &#156;&#229;           > 50 5C 81 9C E5 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001E59C815580, 16 bytes long.
 Data: <(\ &#156;&#229;           > 28 5C 81 9C E5 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001E59C815670, 16 bytes long.
 Data: < \ &#156;&#229;           > 00 5C 81 9C E5 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001E59C815760, 16 bytes long.
 Data: <&#176;G &#156;&#229;           > B0 47 81 9C E5 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001E59C8147B0, 40 bytes long.
 Data: <`W &#156;&#229;     G&#158;&#229;   > 60 57 81 9C E5 01 00 00 00 88 47 9E E5 01 00 00 
{262} normal block at 0x000001E59C815850, 16 bytes long.
 Data: <&#224;[ &#156;&#229;           > E0 5B 81 9C E5 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001E59C815530, 16 bytes long.
 Data: <&#184;[ &#156;&#229;           > B8 5B 81 9C E5 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001E59C80F320, 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 0x000001E59C8154E0, 16 bytes long.
 Data: < [ &#156;&#229;           > 90 5B 81 9C E5 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001E59C815B90, 992 bytes long.
 Data: <&#224;T &#156;&#229;    &#243; &#156;&#229;   > E0 54 81 9C E5 01 00 00 20 F3 80 9C E5 01 00 00 
{94} normal block at 0x000001E59C80FB60, 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 0x000001E59C80EDB0, 16 bytes long.
 Data: <&#240;&#193; &#156;&#229;           > F0 C1 7F 9C E5 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001E59C7FC1F0, 40 bytes long.
 Data: <&#176;&#237; &#156;&#229;   `&#251; &#156;&#229;   > B0 ED 80 9C E5 01 00 00 60 FB 80 9C E5 01 00 00 
{71} normal block at 0x000001E59C80EE00, 16 bytes long.
 Data: < &#234;9&#149;&#246;           > 80 EA 39 95 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001E59C80E130, 16 bytes long.
 Data: <@&#233;9&#149;&#246;           > 40 E9 39 95 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001E59C80E180, 16 bytes long.
 Data: <&#248;W6&#149;&#246;           > F8 57 36 95 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001E59C80ED10, 16 bytes long.
 Data: <&#216;W6&#149;&#246;           > D8 57 36 95 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001E59C80EA90, 16 bytes long.
 Data: <P 6&#149;&#246;           > 50 04 36 95 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001E59C80EC70, 16 bytes long.
 Data: <0 6&#149;&#246;           > 30 04 36 95 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001E59C80E400, 16 bytes long.
 Data: <&#224; 6&#149;&#246;           > E0 02 36 95 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001E59C80E9A0, 16 bytes long.
 Data: <  6&#149;&#246;           > 10 04 36 95 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001E59C80E950, 16 bytes long.
 Data: <p 6&#149;&#246;           > 70 04 36 95 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001E59C80E1D0, 16 bytes long.
 Data: < &#192;4&#149;&#246;           > 18 C0 34 95 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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