Task 38684209

Name test_410-GPUGRID_TEST_ATM_40STEP_20261023-14-40-RND0092_0
Workunit 31625730
Created 27 Oct 2026, 15:12:50 UTC
Sent 27 Oct 2026, 15:12:55 UTC
Report deadline 1 Nov 2026, 15:12:55 UTC
Received 27 Oct 2026, 16:05:02 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 610527
Run time 50 min 55 sec
CPU time 42 min 30 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,741.16 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 661.21 MB
Peak swap size 8.37 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
10:14:44 (30024): wrapper (7.9.26016): starting
10:14:44 (30024): 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
10:14:46 (30024): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:14:46 (30024): 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\19\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\19\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
11:04:15 (30024): C:/Windows/system32/cmd.exe exited; CPU time 2550.843750
11:04:15 (30024): called boinc_finish(0)
0 bytes in 0 Free Blocks.
766 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: 53456449 bytes.
Dumping objects ->
{3835255} normal block at 0x0000026517014B50, 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 0x0000026517014A70, 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 0x0000026517014A00, 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 0x0000026517014920, 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 0x0000026517014AE0, 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 0x0000026518E2BAF0, 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 0x0000026517006240, 255 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 0x000002651700FCA0, 8 bytes long.
 Data: <  _ e   > 00 00 5F 17 65 02 00 00 
{3834567} normal block at 0x0000026517006600, 255 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833963} normal block at 0x000002651700FE30, 8 bytes long.
 Data: <&#176;&#227;&#211; e   > B0 E3 D3 18 65 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000026517006C40, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000265170077B0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x0000026517015970, 16 bytes long.
 Data: <&#168;g  e           > A8 67 01 17 65 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000026517015BA0, 16 bytes long.
 Data: < g  e           > 80 67 01 17 65 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000026517010A50, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x0000026517015AB0, 16 bytes long.
 Data: <Xg  e           > 58 67 01 17 65 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000026517015D80, 16 bytes long.
 Data: <0g  e           > 30 67 01 17 65 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000026517015A10, 16 bytes long.
 Data: < g  e           > 08 67 01 17 65 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000026517016320, 16 bytes long.
 Data: <&#224;f  e           > E0 66 01 17 65 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000026517014E60, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x00000265170155B0, 16 bytes long.
 Data: <x&#248;  e           > 78 F8 00 17 65 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000265170110B0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x0000026517015B00, 16 bytes long.
 Data: <P&#248;  e           > 50 F8 00 17 65 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000026517015790, 16 bytes long.
 Data: <(&#248;  e           > 28 F8 00 17 65 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000265170156A0, 16 bytes long.
 Data: < &#248;  e           > 00 F8 00 17 65 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000265170156F0, 16 bytes long.
 Data: <&#216;&#247;  e           > D8 F7 00 17 65 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000026517015CE0, 16 bytes long.
 Data: <&#176;&#247;  e           > B0 F7 00 17 65 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000026517015BF0, 16 bytes long.
 Data: < &#247;  e           > 88 F7 00 17 65 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000026517011890, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x00000265170157E0, 16 bytes long.
 Data: <`&#247;  e           > 60 F7 00 17 65 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002651700F760, 320 bytes long.
 Data: <&#224;W  e       e   > E0 57 01 17 65 02 00 00 90 18 01 17 65 02 00 00 
{277} normal block at 0x0000026517016190, 16 bytes long.
 Data: <&#192;f  e           > C0 66 01 17 65 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000026517015510, 16 bytes long.
 Data: < f  e           > 98 66 01 17 65 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000026517010ED0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x0000026517016140, 16 bytes long.
 Data: <pf  e           > 70 66 01 17 65 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000026517010E10, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x0000026517015830, 16 bytes long.
 Data: <&#184;e  e           > B8 65 01 17 65 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000026517015FB0, 16 bytes long.
 Data: < e  e           > 90 65 01 17 65 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000026517015560, 16 bytes long.
 Data: <he  e           > 68 65 01 17 65 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000026517015650, 16 bytes long.
 Data: <@e  e           > 40 65 01 17 65 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000265170161E0, 16 bytes long.
 Data: < e  e           > 18 65 01 17 65 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000265170162D0, 16 bytes long.
 Data: <&#240;d  e           > F0 64 01 17 65 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000026517015A60, 16 bytes long.
 Data: <&#176;O  e           > B0 4F 01 17 65 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000026517014FB0, 40 bytes long.
 Data: <`Z  e   &#240;&#186;&#226; e   > 60 5A 01 17 65 02 00 00 F0 BA E2 18 65 02 00 00 
{263} normal block at 0x0000026517015600, 16 bytes long.
 Data: <&#208;d  e           > D0 64 01 17 65 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000026517016280, 16 bytes long.
 Data: <&#168;d  e           > A8 64 01 17 65 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000026517010DB0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x0000026517016410, 16 bytes long.
 Data: < d  e           > 80 64 01 17 65 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000026517016480, 992 bytes long.
 Data: < d  e   &#176;   e   > 10 64 01 17 65 02 00 00 B0 0D 01 17 65 02 00 00 
{95} normal block at 0x0000026517011230, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x00000265170100B0, 16 bytes long.
 Data: <0&#215;&#255; e           > 30 D7 FF 16 65 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x0000026516FFD730, 40 bytes long.
 Data: <&#176;   e   0   e   > B0 00 01 17 65 02 00 00 30 12 01 17 65 02 00 00 
{72} normal block at 0x000002651700FA20, 16 bytes long.
 Data: < &#234;&#195;&#151;&#246;           > 80 EA C3 97 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000026517010650, 16 bytes long.
 Data: <@&#233;&#195;&#151;&#246;           > 40 E9 C3 97 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002651700FFC0, 16 bytes long.
 Data: <&#248;W&#192;&#151;&#246;           > F8 57 C0 97 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002651700FDE0, 16 bytes long.
 Data: <&#216;W&#192;&#151;&#246;           > D8 57 C0 97 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002651700FD90, 16 bytes long.
 Data: <P &#192;&#151;&#246;           > 50 04 C0 97 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000026517010470, 16 bytes long.
 Data: <0 &#192;&#151;&#246;           > 30 04 C0 97 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000265170108D0, 16 bytes long.
 Data: <&#224; &#192;&#151;&#246;           > E0 02 C0 97 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002651700FED0, 16 bytes long.
 Data: <  &#192;&#151;&#246;           > 10 04 C0 97 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000026517010880, 16 bytes long.
 Data: <p &#192;&#151;&#246;           > 70 04 C0 97 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002651700FC50, 16 bytes long.
 Data: < &#192;&#190;&#151;&#246;           > 18 C0 BE 97 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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