Task 38649585

Name test_206-GPUGRID_TEST_ATM_4STEP_20261023-1-4-RND8859_0
Workunit 31594199
Created 23 Oct 2026, 21:39:46 UTC
Sent 23 Oct 2026, 22:01:07 UTC
Report deadline 28 Oct 2026, 22:01:07 UTC
Received 23 Oct 2026, 22:46:18 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 629480
Run time 24 min 18 sec
CPU time 22 min 45 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 22,590.50 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 742.28 MB
Peak swap size 9.91 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
17:22:40 (8108): wrapper (7.9.26016): starting
17:22:40 (8108): 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
17:22:41 (8108): Library/usr/bin/tar.exe exited; CPU time 0.015625
17:22:41 (8108): 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
17:45:59 (8108): C:/Windows/system32/cmd.exe exited; CPU time 1365.312500
17:45:59 (8108): 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: 30072081 bytes.
Dumping objects ->
{3835519} normal block at 0x000001755D0A3F90, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835508} normal block at 0x000001755D0A39E0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835497} normal block at 0x000001755D0A3970, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835486} normal block at 0x000001755B385EA0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835475} normal block at 0x000001755B385960, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835444} normal block at 0x000001755D01C2A0, 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) : {3835431} normal block at 0x000001755B37F7D0, 8 bytes long.
 Data: <  1[u   > 00 00 31 5B 75 01 00 00 
{3833959} normal block at 0x000001755B380400, 8 bytes long.
 Data: <&#192;Q8[u   > C0 51 38 5B 75 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001755B382380, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001755B376F20, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x000001755B386E90, 16 bytes long.
 Data: <Xt8[u           > 58 74 38 5B 75 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001755B386300, 16 bytes long.
 Data: <0t8[u           > 30 74 38 5B 75 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001755B381330, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x000001755B3868A0, 16 bytes long.
 Data: < t8[u           > 08 74 38 5B 75 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001755B386DF0, 16 bytes long.
 Data: <&#224;s8[u           > E0 73 38 5B 75 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001755B386DA0, 16 bytes long.
 Data: <&#184;s8[u           > B8 73 38 5B 75 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001755B386580, 16 bytes long.
 Data: < s8[u           > 90 73 38 5B 75 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001755B385F80, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x000001755B3863F0, 16 bytes long.
 Data: < &#244;7[u           > 98 F4 37 5B 75 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001755B380DF0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x000001755B386670, 16 bytes long.
 Data: <p&#244;7[u           > 70 F4 37 5B 75 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001755B386D50, 16 bytes long.
 Data: <H&#244;7[u           > 48 F4 37 5B 75 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001755B3864E0, 16 bytes long.
 Data: < &#244;7[u           > 20 F4 37 5B 75 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001755B386850, 16 bytes long.
 Data: <&#248;&#243;7[u           > F8 F3 37 5B 75 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001755B386760, 16 bytes long.
 Data: <&#208;&#243;7[u           > D0 F3 37 5B 75 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001755B3863A0, 16 bytes long.
 Data: <&#168;&#243;7[u           > A8 F3 37 5B 75 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001755B381390, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x000001755B386800, 16 bytes long.
 Data: < &#243;7[u           > 80 F3 37 5B 75 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001755B37F380, 320 bytes long.
 Data: < h8[u     8[u   > 00 68 38 5B 75 01 00 00 90 13 38 5B 75 01 00 00 
{275} normal block at 0x000001755B3866C0, 16 bytes long.
 Data: <ps8[u           > 70 73 38 5B 75 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001755B386E40, 16 bytes long.
 Data: <Hs8[u           > 48 73 38 5B 75 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001755B380A90, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x000001755B386F80, 16 bytes long.
 Data: < s8[u           > 20 73 38 5B 75 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001755B380B50, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x000001755B386210, 16 bytes long.
 Data: <hr8[u           > 68 72 38 5B 75 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001755B3867B0, 16 bytes long.
 Data: <@r8[u           > 40 72 38 5B 75 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001755B386D00, 16 bytes long.
 Data: < r8[u           > 18 72 38 5B 75 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001755B3861C0, 16 bytes long.
 Data: <&#240;q8[u           > F0 71 38 5B 75 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001755B386A80, 16 bytes long.
 Data: <&#200;q8[u           > C8 71 38 5B 75 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001755B386620, 16 bytes long.
 Data: <&#160;q8[u           > A0 71 38 5B 75 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001755B3868F0, 16 bytes long.
 Data: <P]8[u           > 50 5D 38 5B 75 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001755B385D50, 40 bytes long.
 Data: <&#240;h8[u   &#160;&#194; ]u   > F0 68 38 5B 75 01 00 00 A0 C2 01 5D 75 01 00 00 
{261} normal block at 0x000001755B386F30, 16 bytes long.
 Data: < q8[u           > 80 71 38 5B 75 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001755B386EE0, 16 bytes long.
 Data: <Xq8[u           > 58 71 38 5B 75 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001755B380730, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x000001755B386530, 16 bytes long.
 Data: <0q8[u           > 30 71 38 5B 75 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001755B387130, 992 bytes long.
 Data: <0e8[u   0 8[u   > 30 65 38 5B 75 01 00 00 30 07 38 5B 75 01 00 00 
{93} normal block at 0x000001755B381210, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x000001755B37F910, 16 bytes long.
 Data: <&#208;Y8[u           > D0 59 38 5B 75 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000001755B3859D0, 40 bytes long.
 Data: < &#249;7[u     8[u   > 10 F9 37 5B 75 01 00 00 10 12 38 5B 75 01 00 00 
{70} normal block at 0x000001755B3800E0, 16 bytes long.
 Data: < &#234; &#160;&#247;           > 80 EA 16 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001755B37F6E0, 16 bytes long.
 Data: <@&#233; &#160;&#247;           > 40 E9 16 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001755B3803B0, 16 bytes long.
 Data: <&#248;W &#160;&#247;           > F8 57 13 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001755B37FB90, 16 bytes long.
 Data: <&#216;W &#160;&#247;           > D8 57 13 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001755B3801D0, 16 bytes long.
 Data: <P  &#160;&#247;           > 50 04 13 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001755B380180, 16 bytes long.
 Data: <0  &#160;&#247;           > 30 04 13 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001755B37F960, 16 bytes long.
 Data: <&#224;  &#160;&#247;           > E0 02 13 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001755B380130, 16 bytes long.
 Data: <   &#160;&#247;           > 10 04 13 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001755B37F780, 16 bytes long.
 Data: <p  &#160;&#247;           > 70 04 13 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001755B37FE10, 16 bytes long.
 Data: < &#192; &#160;&#247;           > 18 C0 11 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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