Task 38684235

Name test_107-GPUGRID_TEST_ATM_40STEP_20261023-18-40-RND5431_0
Workunit 31625755
Created 27 Oct 2026, 15:21:51 UTC
Sent 27 Oct 2026, 15:21:57 UTC
Report deadline 1 Nov 2026, 15:21:57 UTC
Received 27 Oct 2026, 16:36:12 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648578
Run time 25 min 9 sec
CPU time 23 min 14 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 20,163.62 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 736.25 MB
Peak swap size 6.89 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:10:38 (6960): wrapper (7.9.26016): starting
17:10:38 (6960): 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
17:10:39 (6960): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:10:39 (6960): 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
17:35:02 (6960): C:/Windows/system32/cmd.exe exited; CPU time 1394.265625
17:35:02 (6960): called boinc_finish(0)
0 bytes in 0 Free Blocks.
422 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: 20666070 bytes.
Dumping objects ->
{3835554} normal block at 0x0000027B2CA90450, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835543} normal block at 0x0000027B2AEF4F00, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835532} normal block at 0x0000027B2AEF4E90, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835521} normal block at 0x0000027B2AEF4A30, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835510} normal block at 0x0000027B2AEF4B10, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835479} normal block at 0x0000027B2CB06570, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835468} normal block at 0x0000027B2AEE6BE0, 83 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) : {3835465} normal block at 0x0000027B2AEEF4F0, 8 bytes long.
 Data: <  .+{   > 00 00 2E 2B 7B 02 00 00 
{3834684} normal block at 0x0000027B2AEE6B50, 83 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x0000027B2AEEF040, 8 bytes long.
 Data: <@B&#239;*{   > 40 42 EF 2A 7B 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000027B2AEF1470, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000027B2AEE6370, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x0000027B2AEF56B0, 16 bytes long.
 Data: <hg&#239;*{           > 68 67 EF 2A 7B 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000027B2AEF6240, 16 bytes long.
 Data: <@g&#239;*{           > 40 67 EF 2A 7B 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000027B2AEEF980, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x0000027B2AEF5F70, 16 bytes long.
 Data: < g&#239;*{           > 18 67 EF 2A 7B 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000027B2AEF6100, 16 bytes long.
 Data: <&#240;f&#239;*{           > F0 66 EF 2A 7B 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000027B2AEF5980, 16 bytes long.
 Data: <&#200;f&#239;*{           > C8 66 EF 2A 7B 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000027B2AEF5890, 16 bytes long.
 Data: <&#160;f&#239;*{           > A0 66 EF 2A 7B 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000027B2AEF4BF0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x0000027B2AEF5660, 16 bytes long.
 Data: < &#231;&#238;*{           > 98 E7 EE 2A 7B 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000027B2AEEF9E0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x0000027B2AEF5C50, 16 bytes long.
 Data: <p&#231;&#238;*{           > 70 E7 EE 2A 7B 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000027B2AEF6150, 16 bytes long.
 Data: <H&#231;&#238;*{           > 48 E7 EE 2A 7B 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000027B2AEF5C00, 16 bytes long.
 Data: < &#231;&#238;*{           > 20 E7 EE 2A 7B 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000027B2AEF6060, 16 bytes long.
 Data: <&#248;&#230;&#238;*{           > F8 E6 EE 2A 7B 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000027B2AEF5520, 16 bytes long.
 Data: <&#208;&#230;&#238;*{           > D0 E6 EE 2A 7B 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000027B2AEF5AC0, 16 bytes long.
 Data: <&#168;&#230;&#238;*{           > A8 E6 EE 2A 7B 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000027B2AEF0760, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x0000027B2AEF60B0, 16 bytes long.
 Data: < &#230;&#238;*{           > 80 E6 EE 2A 7B 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000027B2AEEE680, 320 bytes long.
 Data: <&#176;`&#239;*{   ` &#239;*{   > B0 60 EF 2A 7B 02 00 00 60 07 EF 2A 7B 02 00 00 
{274} normal block at 0x0000027B2AEF58E0, 16 bytes long.
 Data: < f&#239;*{           > 80 66 EF 2A 7B 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000027B2AEF5ED0, 16 bytes long.
 Data: <Xf&#239;*{           > 58 66 EF 2A 7B 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000027B2AEF06A0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x0000027B2AEF54D0, 16 bytes long.
 Data: <0f&#239;*{           > 30 66 EF 2A 7B 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000027B2AEF0520, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x0000027B2AEF5610, 16 bytes long.
 Data: <xe&#239;*{           > 78 65 EF 2A 7B 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000027B2AEF5F20, 16 bytes long.
 Data: <Pe&#239;*{           > 50 65 EF 2A 7B 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000027B2AEF5750, 16 bytes long.
 Data: <(e&#239;*{           > 28 65 EF 2A 7B 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000027B2AEF5570, 16 bytes long.
 Data: < e&#239;*{           > 00 65 EF 2A 7B 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000027B2AEF55C0, 16 bytes long.
 Data: <&#216;d&#239;*{           > D8 64 EF 2A 7B 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000027B2AEF61A0, 16 bytes long.
 Data: <&#176;d&#239;*{           > B0 64 EF 2A 7B 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000027B2AEF61F0, 16 bytes long.
 Data: <&#160;J&#239;*{           > A0 4A EF 2A 7B 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000027B2AEF4AA0, 40 bytes long.
 Data: <&#240;a&#239;*{   pe&#176;,{   > F0 61 EF 2A 7B 02 00 00 70 65 B0 2C 7B 02 00 00 
{260} normal block at 0x0000027B2AEF5480, 16 bytes long.
 Data: < d&#239;*{           > 90 64 EF 2A 7B 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000027B2AEF63D0, 16 bytes long.
 Data: <hd&#239;*{           > 68 64 EF 2A 7B 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000027B2AEEFBC0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x0000027B2AEF5CF0, 16 bytes long.
 Data: <@d&#239;*{           > 40 64 EF 2A 7B 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000027B2AEF6440, 992 bytes long.
 Data: <&#240;\&#239;*{   &#192;&#251;&#238;*{   > F0 5C EF 2A 7B 02 00 00 C0 FB EE 2A 7B 02 00 00 
{92} normal block at 0x0000027B2AEF07C0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x0000027B2AEEEA50, 16 bytes long.
 Data: < &#230;&#237;*{           > 80 E6 ED 2A 7B 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x0000027B2AEDE680, 40 bytes long.
 Data: <P&#234;&#238;*{   &#192; &#239;*{   > 50 EA EE 2A 7B 02 00 00 C0 07 EF 2A 7B 02 00 00 
{69} normal block at 0x0000027B2AEEF090, 16 bytes long.
 Data: < &#234;&#253;C&#247;           > 80 EA FD 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000027B2AEEF5E0, 16 bytes long.
 Data: <@&#233;&#253;C&#247;           > 40 E9 FD 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000027B2AEEEEB0, 16 bytes long.
 Data: <&#248;W&#250;C&#247;           > F8 57 FA 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000027B2AEEF860, 16 bytes long.
 Data: <&#216;W&#250;C&#247;           > D8 57 FA 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000027B2AEEF130, 16 bytes long.
 Data: <P &#250;C&#247;           > 50 04 FA 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000027B2AEEF810, 16 bytes long.
 Data: <0 &#250;C&#247;           > 30 04 FA 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000027B2AEEE960, 16 bytes long.
 Data: <&#224; &#250;C&#247;           > E0 02 FA 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000027B2AEEE910, 16 bytes long.
 Data: <  &#250;C&#247;           > 10 04 FA 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000027B2AEEF7C0, 16 bytes long.
 Data: <p &#250;C&#247;           > 70 04 FA 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000027B2AEEEE60, 16 bytes long.
 Data: < &#192;&#248;C&#247;           > 18 C0 F8 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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