Task 38674627

Name test_533-GPUGRID_TEST_ATM_40STEP_20261023-25-40-RND0638_0
Workunit 31616657
Created 26 Oct 2026, 5:52:05 UTC
Sent 26 Oct 2026, 5:52:10 UTC
Report deadline 31 Oct 2026, 5:52:10 UTC
Received 26 Oct 2026, 7:18:51 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 632103
Run time 34 min 12 sec
CPU time 33 min 49 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 22,329.38 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 700.43 MB
Peak swap size 9.89 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
07:44:48 (2168): wrapper (7.9.26016): starting
07:44:48 (2168): 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
07:44:49 (2168): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:44:49 (2168): 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
08:18:14 (2168): C:/Windows/system32/cmd.exe exited; CPU time 2029.078125
08:18:14 (2168): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 23210093 bytes.
Dumping objects ->
{3835245} normal block at 0x0000022E4BE71410, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835234} normal block at 0x0000022E4BE71250, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835223} normal block at 0x0000022E4BE70E60, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835212} normal block at 0x0000022E4BE708B0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835201} normal block at 0x0000022E4BE70F40, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835170} normal block at 0x0000022E4BF1BB90, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835159} normal block at 0x0000022E4A269E50, 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) : {3835156} normal block at 0x0000022E4A206D50, 8 bytes long.
 Data: <  &#211;K.   > 00 00 D3 4B 2E 02 00 00 
{3834558} normal block at 0x0000022E4A2697D0, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833967} normal block at 0x0000022E4A206530, 8 bytes long.
 Data: <&#176;o&#247;K.   > B0 6F F7 4B 2E 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000022E4A211120, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000022E4A1F5DB0, 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 0x0000022E4A2122F0, 16 bytes long.
 Data: < 8!J.           > 98 38 21 4A 2E 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000022E4A212AC0, 16 bytes long.
 Data: <p8!J.           > 70 38 21 4A 2E 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000022E4A20CD90, 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 0x0000022E4A213100, 16 bytes long.
 Data: <H8!J.           > 48 38 21 4A 2E 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000022E4A212B60, 16 bytes long.
 Data: < 8!J.           > 20 38 21 4A 2E 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000022E4A212390, 16 bytes long.
 Data: <&#248;7!J.           > F8 37 21 4A 2E 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000022E4A212E80, 16 bytes long.
 Data: <&#208;7!J.           > D0 37 21 4A 2E 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000022E4A20B3C0, 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 0x0000022E4A212C50, 16 bytes long.
 Data: <H] J.           > 48 5D 1F 4A 2E 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000022E4A20D390, 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 0x0000022E4A2127F0, 16 bytes long.
 Data: < ] J.           > 20 5D 1F 4A 2E 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000022E4A212480, 16 bytes long.
 Data: <&#248;\ J.           > F8 5C 1F 4A 2E 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000022E4A212430, 16 bytes long.
 Data: <&#208;\ J.           > D0 5C 1F 4A 2E 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000022E4A2127A0, 16 bytes long.
 Data: <&#168;\ J.           > A8 5C 1F 4A 2E 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000022E4A212C00, 16 bytes long.
 Data: < \ J.           > 80 5C 1F 4A 2E 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000022E4A212D90, 16 bytes long.
 Data: <X\ J.           > 58 5C 1F 4A 2E 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000022E4A20CD30, 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 0x0000022E4A212F20, 16 bytes long.
 Data: <0\ J.           > 30 5C 1F 4A 2E 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000022E4A1F5C30, 320 bytes long.
 Data: < /!J.   0&#205; J.   > 20 2F 21 4A 2E 02 00 00 30 CD 20 4A 2E 02 00 00 
{279} normal block at 0x0000022E4A212D40, 16 bytes long.
 Data: <&#176;7!J.           > B0 37 21 4A 2E 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000022E4A212750, 16 bytes long.
 Data: < 7!J.           > 88 37 21 4A 2E 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000022E4A20D570, 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 0x0000022E4A212660, 16 bytes long.
 Data: <`7!J.           > 60 37 21 4A 2E 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000022E4A20D7B0, 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 0x0000022E4A2129D0, 16 bytes long.
 Data: <&#168;6!J.           > A8 36 21 4A 2E 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000022E4A212DE0, 16 bytes long.
 Data: < 6!J.           > 80 36 21 4A 2E 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000022E4A2130B0, 16 bytes long.
 Data: <X6!J.           > 58 36 21 4A 2E 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000022E4A212CA0, 16 bytes long.
 Data: <06!J.           > 30 36 21 4A 2E 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000022E4A213060, 16 bytes long.
 Data: < 6!J.           > 08 36 21 4A 2E 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000022E4A212700, 16 bytes long.
 Data: <&#224;5!J.           > E0 35 21 4A 2E 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000022E4A212A70, 16 bytes long.
 Data: <`&#182; J.           > 60 B6 20 4A 2E 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000022E4A20B660, 40 bytes long.
 Data: <p*!J.    &#187;&#241;K.   > 70 2A 21 4A 2E 02 00 00 90 BB F1 4B 2E 02 00 00 
{265} normal block at 0x0000022E4A212610, 16 bytes long.
 Data: <&#192;5!J.           > C0 35 21 4A 2E 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000022E4A212CF0, 16 bytes long.
 Data: < 5!J.           > 98 35 21 4A 2E 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000022E4A20D330, 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 0x0000022E4A212980, 16 bytes long.
 Data: <p5!J.           > 70 35 21 4A 2E 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000022E4A213570, 992 bytes long.
 Data: < )!J.   0&#211; J.   > 80 29 21 4A 2E 02 00 00 30 D3 20 4A 2E 02 00 00 
{97} normal block at 0x0000022E4A20CC70, 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 0x0000022E4A206DA0, 16 bytes long.
 Data: <&#240;&#181; J.           > F0 B5 20 4A 2E 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x0000022E4A20B5F0, 40 bytes long.
 Data: <&#160;m J.   p&#204; J.   > A0 6D 20 4A 2E 02 00 00 70 CC 20 4A 2E 02 00 00 
{74} normal block at 0x0000022E4A206B70, 16 bytes long.
 Data: < &#234;  &#246;           > 80 EA 90 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000022E4A206AD0, 16 bytes long.
 Data: <@&#233;  &#246;           > 40 E9 90 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000022E4A2071B0, 16 bytes long.
 Data: <&#248;W  &#246;           > F8 57 8D 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000022E4A206B20, 16 bytes long.
 Data: <&#216;W  &#246;           > D8 57 8D 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000022E4A206A80, 16 bytes long.
 Data: <P   &#246;           > 50 04 8D 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000022E4A206A30, 16 bytes long.
 Data: <0   &#246;           > 30 04 8D 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000022E4A2072A0, 16 bytes long.
 Data: <&#224;   &#246;           > E0 02 8D 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000022E4A206940, 16 bytes long.
 Data: <    &#246;           > 10 04 8D 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000022E4A2068A0, 16 bytes long.
 Data: <p   &#246;           > 70 04 8D 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000022E4A2066C0, 16 bytes long.
 Data: < &#192;&#139; &#246;           > 18 C0 8B 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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