Task 38683957

Name test_827-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND2394_0
Workunit 31625490
Created 27 Oct 2026, 14:04:36 UTC
Sent 27 Oct 2026, 14:04:44 UTC
Report deadline 1 Nov 2026, 14:04:44 UTC
Received 27 Oct 2026, 16:47:03 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 609955
Run time 37 min 44 sec
CPU time 30 min 20 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 754.88 MB
Peak swap size 9.94 GB
Peak disk usage 3.78 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
01:13:45 (33868): wrapper (7.9.26016): starting
01:13:45 (33868): 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
01:13:47 (33868): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:13:47 (33868): 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 'D:\BOINC\slots\18\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 'D:\BOINC\slots\18\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
01:44:44 (33868): C:/Windows/system32/cmd.exe exited; CPU time 1820.046875
01:44:44 (33868): called boinc_finish(0)
0 bytes in 0 Free Blocks.
456 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: 36017423 bytes.
Dumping objects ->
{3835578} normal block at 0x0000023D8B1551B0, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835567} normal block at 0x0000023D8D346800, 32 bytes long.
 Data: <HOME=D:\BOINC\sl> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835556} normal block at 0x0000023D8D346200, 32 bytes long.
 Data: <TMP=D:\BOINC\slo> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{3835545} normal block at 0x0000023D8D346680, 32 bytes long.
 Data: <TEMP=D:\BOINC\sl> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835534} normal block at 0x0000023D8D3467A0, 32 bytes long.
 Data: <TMPDIR=D:\BOINC\> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5C 
{3835503} normal block at 0x0000023D8B155290, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835492} normal block at 0x0000023D8B1AD430, 140 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) : {3835489} normal block at 0x0000023D8B14F610, 8 bytes long.
 Data: <  g =   > 00 00 67 8B 3D 02 00 00 
{3834767} normal block at 0x0000023D8B1ADAB0, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3834069} normal block at 0x0000023D8B14F2F0, 8 bytes long.
 Data: <`K  =   > 60 4B 15 8B 3D 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000023D8B146C90, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000023D8B148250, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x0000023D8B156140, 16 bytes long.
 Data: <&#216;s  =           > D8 73 15 8B 3D 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000023D8B1564B0, 16 bytes long.
 Data: <&#176;s  =           > B0 73 15 8B 3D 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000023D8B1514D0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x0000023D8B156CD0, 16 bytes long.
 Data: < s  =           > 88 73 15 8B 3D 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000023D8B156C30, 16 bytes long.
 Data: <`s  =           > 60 73 15 8B 3D 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000023D8B156B90, 16 bytes long.
 Data: <8s  =           > 38 73 15 8B 3D 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000023D8B156460, 16 bytes long.
 Data: < s  =           > 10 73 15 8B 3D 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000023D8B155680, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x0000023D8B1569B0, 16 bytes long.
 Data: <&#216;&#190;  =           > D8 BE 13 8B 3D 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000023D8B151470, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x0000023D8B156EB0, 16 bytes long.
 Data: <&#176;&#190;  =           > B0 BE 13 8B 3D 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000023D8B1566E0, 16 bytes long.
 Data: < &#190;  =           > 88 BE 13 8B 3D 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000023D8B156AA0, 16 bytes long.
 Data: <`&#190;  =           > 60 BE 13 8B 3D 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000023D8B156870, 16 bytes long.
 Data: <8&#190;  =           > 38 BE 13 8B 3D 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000023D8B156A50, 16 bytes long.
 Data: < &#190;  =           > 10 BE 13 8B 3D 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000023D8B156FF0, 16 bytes long.
 Data: < &#189;  =           > E8 BD 13 8B 3D 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000023D8B151A10, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x0000023D8B156F50, 16 bytes long.
 Data: <&#192;&#189;  =           > C0 BD 13 8B 3D 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000023D8B13BDC0, 320 bytes long.
 Data: <Po  =       =   > 50 6F 15 8B 3D 02 00 00 10 1A 15 8B 3D 02 00 00 
{279} normal block at 0x0000023D8B156C80, 16 bytes long.
 Data: < r  =           > F0 72 15 8B 3D 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000023D8B156A00, 16 bytes long.
 Data: <&#200;r  =           > C8 72 15 8B 3D 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000023D8B151650, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x0000023D8B156820, 16 bytes long.
 Data: < r  =           > A0 72 15 8B 3D 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000023D8B150D50, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x0000023D8B156FA0, 16 bytes long.
 Data: < q  =           > E8 71 15 8B 3D 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000023D8B1562D0, 16 bytes long.
 Data: <&#192;q  =           > C0 71 15 8B 3D 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000023D8B156DC0, 16 bytes long.
 Data: < q  =           > 98 71 15 8B 3D 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000023D8B156BE0, 16 bytes long.
 Data: <pq  =           > 70 71 15 8B 3D 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000023D8B1561E0, 16 bytes long.
 Data: <Hq  =           > 48 71 15 8B 3D 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000023D8B156410, 16 bytes long.
 Data: < q  =           > 20 71 15 8B 3D 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000023D8B156690, 16 bytes long.
 Data: < S  =           > E0 53 15 8B 3D 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000023D8B1553E0, 40 bytes long.
 Data: < f  =    R  =   > 90 66 15 8B 3D 02 00 00 90 52 15 8B 3D 02 00 00 
{265} normal block at 0x0000023D8B156640, 16 bytes long.
 Data: < q  =           > 00 71 15 8B 3D 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000023D8B1563C0, 16 bytes long.
 Data: <&#216;p  =           > D8 70 15 8B 3D 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000023D8B150FF0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x0000023D8B156AF0, 16 bytes long.
 Data: <&#176;p  =           > B0 70 15 8B 3D 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000023D8B1570B0, 992 bytes long.
 Data: < j  =       =   > F0 6A 15 8B 3D 02 00 00 F0 0F 15 8B 3D 02 00 00 
{97} normal block at 0x0000023D8B150ED0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x0000023D8B14EDF0, 16 bytes long.
 Data: <P&#203;  =           > 50 CB 13 8B 3D 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x0000023D8B13CB50, 40 bytes long.
 Data: <    =   &#208;   =   > F0 ED 14 8B 3D 02 00 00 D0 0E 15 8B 3D 02 00 00 
{72} normal block at 0x0000023D8B14F570, 16 bytes long.
 Data: <  &#212;_            > 80 EA D4 5F F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000023D8B14F5C0, 16 bytes long.
 Data: <@ &#212;_            > 40 E9 D4 5F F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000023D8B14EA30, 16 bytes long.
 Data: < W&#209;_            > F8 57 D1 5F F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000023D8B14EF30, 16 bytes long.
 Data: <&#216;W&#209;_            > D8 57 D1 5F F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000023D8B14F070, 16 bytes long.
 Data: <P &#209;_            > 50 04 D1 5F F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000023D8B14F160, 16 bytes long.
 Data: <0 &#209;_            > 30 04 D1 5F F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000023D8B14EE90, 16 bytes long.
 Data: <  &#209;_            > E0 02 D1 5F F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000023D8B14EB70, 16 bytes long.
 Data: <  &#209;_            > 10 04 D1 5F F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000023D8B14F200, 16 bytes long.
 Data: <p &#209;_            > 70 04 D1 5F F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000023D8B14F480, 16 bytes long.
 Data: < &#192;&#207;_            > 18 C0 CF 5F F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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