Task 38680721

Name test_289-GPUGRID_TEST_ATM_40STEP_20261023-18-40-RND2745_0
Workunit 31622429
Created 27 Oct 2026, 0:58:32 UTC
Sent 27 Oct 2026, 0:58:37 UTC
Report deadline 1 Nov 2026, 0:58:37 UTC
Received 27 Oct 2026, 2:31:27 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 606123
Run time 31 min 14 sec
CPU time 31 min 1 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,771.31 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 692.55 MB
Peak swap size 9.98 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
03:56:53 (22048): wrapper (7.9.26016): starting
03:56:53 (22048): 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
03:56:54 (22048): Library/usr/bin/tar.exe exited; CPU time 0.015625
03:56:54 (22048): 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\6\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\6\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
04:30:59 (22048): C:/Windows/system32/cmd.exe exited; CPU time 1861.203125
04:30:59 (22048): called boinc_finish(0)
0 bytes in 0 Free Blocks.
616 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: 36194617 bytes.
Dumping objects ->
{3835255} normal block at 0x000001DB9EE65460, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835244} normal block at 0x000001DB9EE654D0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835233} normal block at 0x000001DB9EE65070, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835222} normal block at 0x000001DB9EE649E0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835211} normal block at 0x000001DB9EE64F90, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835180} normal block at 0x000001DBA09CEE00, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835169} normal block at 0x000001DB9EE3ED70, 180 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) : {3835166} normal block at 0x000001DB9EE36490, 8 bytes long.
 Data: <  &#170;&#160;&#219;   > 00 00 AA A0 DB 01 00 00 
{3834558} normal block at 0x000001DB9EE3EAA0, 180 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 0x000001DB9EE35810, 8 bytes long.
 Data: <&#192;&#187;&#137;&#160;&#219;   > C0 BB 89 A0 DB 01 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000001DB9EE40190, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001DB9EE41210, 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 0x000001DB9EE41B30, 16 bytes long.
 Data: <&#168;'&#228;&#158;&#219;           > A8 27 E4 9E DB 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001DB9EE41450, 16 bytes long.
 Data: <&#128;'&#228;&#158;&#219;           > 80 27 E4 9E DB 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001DB9EE3C100, 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 0x000001DB9EE414A0, 16 bytes long.
 Data: <X'&#228;&#158;&#219;           > 58 27 E4 9E DB 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001DB9EE414F0, 16 bytes long.
 Data: <0'&#228;&#158;&#219;           > 30 27 E4 9E DB 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001DB9EE420D0, 16 bytes long.
 Data: < '&#228;&#158;&#219;           > 08 27 E4 9E DB 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001DB9EE42080, 16 bytes long.
 Data: <&#224;&&#228;&#158;&#219;           > E0 26 E4 9E DB 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001DB9EE3A590, 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 0x000001DB9EE41A90, 16 bytes long.
 Data: <&#168; &#228;&#158;&#219;           > A8 11 E4 9E DB 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001DB9EE3C580, 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 0x000001DB9EE413B0, 16 bytes long.
 Data: <&#128; &#228;&#158;&#219;           > 80 11 E4 9E DB 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001DB9EE41810, 16 bytes long.
 Data: <X &#228;&#158;&#219;           > 58 11 E4 9E DB 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001DB9EE42030, 16 bytes long.
 Data: <0 &#228;&#158;&#219;           > 30 11 E4 9E DB 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001DB9EE419F0, 16 bytes long.
 Data: <  &#228;&#158;&#219;           > 08 11 E4 9E DB 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001DB9EE41F40, 16 bytes long.
 Data: <&#224; &#228;&#158;&#219;           > E0 10 E4 9E DB 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001DB9EE41950, 16 bytes long.
 Data: <&#184; &#228;&#158;&#219;           > B8 10 E4 9E DB 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001DB9EE3BE00, 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 0x000001DB9EE41310, 16 bytes long.
 Data: <&#144; &#228;&#158;&#219;           > 90 10 E4 9E DB 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001DB9EE41090, 320 bytes long.
 Data: <  &#228;&#158;&#219;    &#190;&#227;&#158;&#219;   > 10 13 E4 9E DB 01 00 00 00 BE E3 9E DB 01 00 00 
{273} normal block at 0x000001DB9EE41EF0, 16 bytes long.
 Data: <&#192;&&#228;&#158;&#219;           > C0 26 E4 9E DB 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001DB9EE41EA0, 16 bytes long.
 Data: < &&#228;&#158;&#219;           > 98 26 E4 9E DB 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001DB9EE3C3A0, 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 0x000001DB9EE41D60, 16 bytes long.
 Data: <p&&#228;&#158;&#219;           > 70 26 E4 9E DB 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001DB9EE3C880, 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 0x000001DB9EE416D0, 16 bytes long.
 Data: <&#184;%&#228;&#158;&#219;           > B8 25 E4 9E DB 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001DB9EE421C0, 16 bytes long.
 Data: <&#144;%&#228;&#158;&#219;           > 90 25 E4 9E DB 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001DB9EE42260, 16 bytes long.
 Data: <h%&#228;&#158;&#219;           > 68 25 E4 9E DB 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001DB9EE41360, 16 bytes long.
 Data: <@%&#228;&#158;&#219;           > 40 25 E4 9E DB 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001DB9EE41720, 16 bytes long.
 Data: < %&#228;&#158;&#219;           > 18 25 E4 9E DB 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001DB9EE42170, 16 bytes long.
 Data: <&#240;$&#228;&#158;&#219;           > F0 24 E4 9E DB 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001DB9EE41FE0, 16 bytes long.
 Data: <`&#163;&#227;&#158;&#219;           > 60 A3 E3 9E DB 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001DB9EE3A360, 40 bytes long.
 Data: <&#224; &#228;&#158;&#219;    &#238;&#156;&#160;&#219;   > E0 1F E4 9E DB 01 00 00 00 EE 9C A0 DB 01 00 00 
{259} normal block at 0x000001DB9EE41F90, 16 bytes long.
 Data: <&#208;$&#228;&#158;&#219;           > D0 24 E4 9E DB 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001DB9EE417C0, 16 bytes long.
 Data: <&#168;$&#228;&#158;&#219;           > A8 24 E4 9E DB 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001DB9EE3BDA0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x000001DB9EE41E50, 16 bytes long.
 Data: <&#128;$&#228;&#158;&#219;           > 80 24 E4 9E DB 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001DB9EE42480, 992 bytes long.
 Data: <P &#228;&#158;&#219;   &#160;&#189;&#227;&#158;&#219;   > 50 1E E4 9E DB 01 00 00 A0 BD E3 9E DB 01 00 00 
{91} normal block at 0x000001DB9EE3BB00, 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 0x000001DB9EE35C20, 16 bytes long.
 Data: <&#208;&#163;&#227;&#158;&#219;           > D0 A3 E3 9E DB 01 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x000001DB9EE3A3D0, 40 bytes long.
 Data: < \&#227;&#158;&#219;    &#187;&#227;&#158;&#219;   > 20 5C E3 9E DB 01 00 00 00 BB E3 9E DB 01 00 00 
{68} normal block at 0x000001DB9EE36260, 16 bytes long.
 Data: <&#128;&#234; \&#247;           > 80 EA 11 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001DB9EE363F0, 16 bytes long.
 Data: <@&#233; \&#247;           > 40 E9 11 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001DB9EE36080, 16 bytes long.
 Data: <&#248;W \&#247;           > F8 57 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001DB9EE36170, 16 bytes long.
 Data: <&#216;W \&#247;           > D8 57 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001DB9EE363A0, 16 bytes long.
 Data: <P  \&#247;           > 50 04 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001DB9EE35BD0, 16 bytes long.
 Data: <0  \&#247;           > 30 04 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001DB9EE357C0, 16 bytes long.
 Data: <&#224;  \&#247;           > E0 02 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001DB9EE35720, 16 bytes long.
 Data: <   \&#247;           > 10 04 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001DB9EE35770, 16 bytes long.
 Data: <p  \&#247;           > 70 04 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001DB9EE35B30, 16 bytes long.
 Data: < &#192; \&#247;           > 18 C0 0C 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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