Task 38667628

Name test_733-GPUGRID_TEST_ATM_40STEP_20261023-14-40-RND6306_1
Workunit 31610219
Created 25 Oct 2026, 8:46:06 UTC
Sent 25 Oct 2026, 8:46:32 UTC
Report deadline 30 Oct 2026, 8:46:32 UTC
Received 25 Oct 2026, 10:48:09 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 640581
Run time 55 min 45 sec
CPU time 55 min 45 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 44,749.87 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 760.46 MB
Peak swap size 13.01 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
10:50:40 (19268): wrapper (7.9.26016): starting
10:50:40 (19268): 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
10:50:42 (19268): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:50:42 (19268): 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\5\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\5\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
11:47:26 (19268): C:/Windows/system32/cmd.exe exited; CPU time 3345.359375
11:47:26 (19268): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 51832913 bytes.
Dumping objects ->
{3835259} normal block at 0x0000028025BFE7B0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835248} normal block at 0x0000028025BFE9E0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835237} normal block at 0x0000028025BFEA50, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835226} normal block at 0x0000028025BFE5F0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835215} normal block at 0x0000028023DF62A0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835184} normal block at 0x0000028025C46390, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835173} normal block at 0x0000028025C5FE20, 102 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) : {3835170} normal block at 0x0000028023DEFBF0, 8 bytes long.
 Data: <  -$    > 00 00 2D 24 80 02 00 00 
{3834557} normal block at 0x0000028025C60190, 102 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 0x0000028023DF0190, 8 bytes long.
 Data: <0&#195;&#225;#    > 30 C3 E1 23 80 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000028023DF1BC0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000028023DE70A0, 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 0x0000028023DF6830, 16 bytes long.
 Data: <Hx&#223;#            > 48 78 DF 23 80 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000028023DF6FB0, 16 bytes long.
 Data: < x&#223;#            > 20 78 DF 23 80 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000028023DF16F0, 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 0x0000028023DF73C0, 16 bytes long.
 Data: <&#248;w&#223;#            > F8 77 DF 23 80 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000028023DF69C0, 16 bytes long.
 Data: <&#208;w&#223;#            > D0 77 DF 23 80 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000028023DF6E70, 16 bytes long.
 Data: <&#168;w&#223;#            > A8 77 DF 23 80 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000028023DF7370, 16 bytes long.
 Data: < w&#223;#            > 80 77 DF 23 80 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000028023DF6150, 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 0x0000028023DF6AB0, 16 bytes long.
 Data: <X&#245;&#222;#            > 58 F5 DE 23 80 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000028023DF0C10, 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 0x0000028023DF6DD0, 16 bytes long.
 Data: <0&#245;&#222;#            > 30 F5 DE 23 80 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000028023DF6F10, 16 bytes long.
 Data: < &#245;&#222;#            > 08 F5 DE 23 80 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000028023DF7190, 16 bytes long.
 Data: <&#224;&#244;&#222;#            > E0 F4 DE 23 80 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000028023DF6F60, 16 bytes long.
 Data: <&#184;&#244;&#222;#            > B8 F4 DE 23 80 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000028023DF6970, 16 bytes long.
 Data: < &#244;&#222;#            > 90 F4 DE 23 80 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000028023DF7050, 16 bytes long.
 Data: <h&#244;&#222;#            > 68 F4 DE 23 80 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000028023DF0D90, 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 0x0000028023DF6740, 16 bytes long.
 Data: <@&#244;&#222;#            > 40 F4 DE 23 80 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000028023DEF440, 320 bytes long.
 Data: <@g&#223;#      &#223;#    > 40 67 DF 23 80 02 00 00 90 0D DF 23 80 02 00 00 
{276} normal block at 0x0000028023DF65B0, 16 bytes long.
 Data: <`w&#223;#            > 60 77 DF 23 80 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000028023DF7230, 16 bytes long.
 Data: <8w&#223;#            > 38 77 DF 23 80 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000028023DF0A90, 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 0x0000028023DF72D0, 16 bytes long.
 Data: < w&#223;#            > 10 77 DF 23 80 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000028023DF0970, 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 0x0000028023DF7140, 16 bytes long.
 Data: <Xv&#223;#            > 58 76 DF 23 80 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000028023DF7320, 16 bytes long.
 Data: <0v&#223;#            > 30 76 DF 23 80 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000028023DF6EC0, 16 bytes long.
 Data: < v&#223;#            > 08 76 DF 23 80 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000028023DF6880, 16 bytes long.
 Data: <&#224;u&#223;#            > E0 75 DF 23 80 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000028023DF70A0, 16 bytes long.
 Data: <&#184;u&#223;#            > B8 75 DF 23 80 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000028023DF6D80, 16 bytes long.
 Data: < u&#223;#            > 90 75 DF 23 80 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000028023DF6790, 16 bytes long.
 Data: <&#224;`&#223;#            > E0 60 DF 23 80 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000028023DF60E0, 40 bytes long.
 Data: < g&#223;#     c&#196;%    > 90 67 DF 23 80 02 00 00 90 63 C4 25 80 02 00 00 
{262} normal block at 0x0000028023DF6560, 16 bytes long.
 Data: <pu&#223;#            > 70 75 DF 23 80 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000028023DF6C90, 16 bytes long.
 Data: <Hu&#223;#            > 48 75 DF 23 80 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000028023DF1210, 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 0x0000028023DF6BF0, 16 bytes long.
 Data: < u&#223;#            > 20 75 DF 23 80 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000028023DF7520, 992 bytes long.
 Data: <&#240;k&#223;#      &#223;#    > F0 6B DF 23 80 02 00 00 10 12 DF 23 80 02 00 00 
{94} normal block at 0x0000028023DF10F0, 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 0x0000028023DF0140, 16 bytes long.
 Data: <&#208;]&#223;#            > D0 5D DF 23 80 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000028023DF5DD0, 40 bytes long.
 Data: <@ &#223;#    &#240; &#223;#    > 40 01 DF 23 80 02 00 00 F0 10 DF 23 80 02 00 00 
{71} normal block at 0x0000028023DEFF60, 16 bytes long.
 Data: < &#234;ML&#247;           > 80 EA 4D 4C F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000028023DEF8D0, 16 bytes long.
 Data: <@&#233;ML&#247;           > 40 E9 4D 4C F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000028023DEFBA0, 16 bytes long.
 Data: <&#248;WJL&#247;           > F8 57 4A 4C F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000028023DF05F0, 16 bytes long.
 Data: <&#216;WJL&#247;           > D8 57 4A 4C F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000028023DEF880, 16 bytes long.
 Data: <P JL&#247;           > 50 04 4A 4C F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000028023DF00F0, 16 bytes long.
 Data: <0 JL&#247;           > 30 04 4A 4C F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000028023DEFC90, 16 bytes long.
 Data: <&#224; JL&#247;           > E0 02 4A 4C F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000028023DEFDD0, 16 bytes long.
 Data: <  JL&#247;           > 10 04 4A 4C F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000028023DEFE20, 16 bytes long.
 Data: <p JL&#247;           > 70 04 4A 4C F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000028023DEFEC0, 16 bytes long.
 Data: < &#192;HL&#247;           > 18 C0 48 4C F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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