Task 38696830

Name test_571-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND2046_0
Workunit 31637446
Created 1 Nov 2026, 5:11:06 UTC
Sent 1 Nov 2026, 5:11:07 UTC
Report deadline 6 Nov 2026, 5:11:07 UTC
Received 1 Nov 2026, 6:06:23 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652373
Run time 28 min 32 sec
CPU time 24 min 45 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 26,730.03 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 736.03 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>
14:18:07 (25572): wrapper (7.9.26016): starting
14:18:07 (25572): 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
14:18:08 (25572): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:18:08 (25572): 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\0\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\0\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
14:45:34 (25572): C:/Windows/system32/cmd.exe exited; CPU time 1485.468750
14:45:34 (25572): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 36500663 bytes.
Dumping objects ->
{3835555} normal block at 0x000001B81CCCD160, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835544} normal block at 0x000001B81CCCDCC0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835533} normal block at 0x000001B81CCCD7F0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835522} normal block at 0x000001B81CCCD240, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835511} normal block at 0x000001B81CCCD630, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835480} normal block at 0x000001B820728140, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835467} normal block at 0x000001B81CCC6880, 8 bytes long.
 Data: <  , &#184;   > 00 00 2C 1D B8 01 00 00 
{3834045} normal block at 0x000001B81CCC7190, 8 bytes long.
 Data: <p &#217; &#184;   > 70 E3 D9 1C B8 01 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000001B81CCBCD70, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001B81CCAE740, 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 0x000001B81CCC6830, 16 bytes long.
 Data: <X&#172;&#204; &#184;           > 58 AC CC 1C B8 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001B81CCC7500, 16 bytes long.
 Data: <0&#172;&#204; &#184;           > 30 AC CC 1C B8 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001B81CCC5320, 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 0x000001B81CCC7730, 16 bytes long.
 Data: < &#172;&#204; &#184;           > 08 AC CC 1C B8 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001B81CCC7410, 16 bytes long.
 Data: < &#171;&#204; &#184;           > E0 AB CC 1C B8 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001B81CCC7230, 16 bytes long.
 Data: <&#184;&#171;&#204; &#184;           > B8 AB CC 1C B8 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001B81CCC6EC0, 16 bytes long.
 Data: < &#171;&#204; &#184;           > 90 AB CC 1C B8 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001B81CCC3D40, 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 0x000001B81CCC7140, 16 bytes long.
 Data: < &#168;&#204; &#184;           > 18 A8 CC 1C B8 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001B81CCC4A80, 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 0x000001B81CCC76E0, 16 bytes long.
 Data: < &#167;&#204; &#184;           > F0 A7 CC 1C B8 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001B81CCC74B0, 16 bytes long.
 Data: <&#200;&#167;&#204; &#184;           > C8 A7 CC 1C B8 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001B81CCC6E70, 16 bytes long.
 Data: < &#167;&#204; &#184;           > A0 A7 CC 1C B8 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001B81CCC6AB0, 16 bytes long.
 Data: <x&#167;&#204; &#184;           > 78 A7 CC 1C B8 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001B81CCC6A10, 16 bytes long.
 Data: <P&#167;&#204; &#184;           > 50 A7 CC 1C B8 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001B81CCC6E20, 16 bytes long.
 Data: <(&#167;&#204; &#184;           > 28 A7 CC 1C B8 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001B81CCC4900, 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 0x000001B81CCC69C0, 16 bytes long.
 Data: < &#167;&#204; &#184;           > 00 A7 CC 1C B8 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001B81CCCA700, 320 bytes long.
 Data: <&#192;i&#204; &#184;    I&#204; &#184;   > C0 69 CC 1C B8 01 00 00 00 49 CC 1C B8 01 00 00 
{273} normal block at 0x000001B81CCC7780, 16 bytes long.
 Data: <p&#171;&#204; &#184;           > 70 AB CC 1C B8 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001B81CCC7690, 16 bytes long.
 Data: <H&#171;&#204; &#184;           > 48 AB CC 1C B8 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001B81CCC4B40, 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 0x000001B81CCC6C90, 16 bytes long.
 Data: < &#171;&#204; &#184;           > 20 AB CC 1C B8 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001B81CCC56E0, 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 0x000001B81CCC7370, 16 bytes long.
 Data: <h&#170;&#204; &#184;           > 68 AA CC 1C B8 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001B81CCC7320, 16 bytes long.
 Data: <@&#170;&#204; &#184;           > 40 AA CC 1C B8 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001B81CCC70A0, 16 bytes long.
 Data: < &#170;&#204; &#184;           > 18 AA CC 1C B8 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001B81CCC7000, 16 bytes long.
 Data: < &#169;&#204; &#184;           > F0 A9 CC 1C B8 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001B81CCC6970, 16 bytes long.
 Data: <&#200;&#169;&#204; &#184;           > C8 A9 CC 1C B8 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001B81CCC6920, 16 bytes long.
 Data: < &#169;&#204; &#184;           > A0 A9 CC 1C B8 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001B81CCC6FB0, 16 bytes long.
 Data: <&#176;=&#204; &#184;           > B0 3D CC 1C B8 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001B81CCC3DB0, 40 bytes long.
 Data: <&#176;o&#204; &#184;   @ r &#184;   > B0 6F CC 1C B8 01 00 00 40 81 72 20 B8 01 00 00 
{259} normal block at 0x000001B81CCC72D0, 16 bytes long.
 Data: < &#169;&#204; &#184;           > 80 A9 CC 1C B8 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001B81CCC6D80, 16 bytes long.
 Data: <X&#169;&#204; &#184;           > 58 A9 CC 1C B8 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001B81CCC4AE0, 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 0x000001B81CCC6CE0, 16 bytes long.
 Data: <0&#169;&#204; &#184;           > 30 A9 CC 1C B8 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001B81CCCA930, 992 bytes long.
 Data: < l&#204; &#184;    J&#204; &#184;   > E0 6C CC 1C B8 01 00 00 E0 4A CC 1C B8 01 00 00 
{91} normal block at 0x000001B81CCC4E40, 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 0x000001B81CCC68D0, 16 bytes long.
 Data: <&#208;<&#204; &#184;           > D0 3C CC 1C B8 01 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x000001B81CCC3CD0, 40 bytes long.
 Data: <&#208;h&#204; &#184;   @N&#204; &#184;   > D0 68 CC 1C B8 01 00 00 40 4E CC 1C B8 01 00 00 
{66} normal block at 0x000001B81CCC73C0, 16 bytes long.
 Data: <  &#161;             > 80 EA A1 89 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001B81CCC1860, 16 bytes long.
 Data: <@ &#161;             > 40 E9 A1 89 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001B81CCC17C0, 16 bytes long.
 Data: < W              > F8 57 9E 89 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001B81CCC1770, 16 bytes long.
 Data: <&#216;W              > D8 57 9E 89 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001B81CCC16D0, 16 bytes long.
 Data: <P               > 50 04 9E 89 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001B81CCC1680, 16 bytes long.
 Data: <0               > 30 04 9E 89 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001B81CCC1540, 16 bytes long.
 Data: <                > E0 02 9E 89 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001B81CCC1450, 16 bytes long.
 Data: <                > 10 04 9E 89 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001B81CCC1130, 16 bytes long.
 Data: <p               > 70 04 9E 89 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001B81CCC0D70, 16 bytes long.
 Data: < &#192;              > 18 C0 9C 89 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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