Task 38669145

Name test_448-GPUGRID_TEST_ATM_40STEP_20261023-12-40-RND7507_0
Workunit 31611529
Created 25 Oct 2026, 13:47:47 UTC
Sent 25 Oct 2026, 13:47:49 UTC
Report deadline 30 Oct 2026, 13:47:49 UTC
Received 25 Oct 2026, 14:11:34 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 559888
Run time 23 min 12 sec
CPU time 21 min
Validate state Valid
Credit 60,000.00
Device peak FLOPS 112,285.23 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 753.50 MB
Peak swap size 13.25 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
13:49:32 (45776): wrapper (7.9.26016): starting
13:49:32 (45776): 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
13:49:34 (45776): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:49:34 (45776): 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\data\slots\15\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\data\slots\15\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
14:11:09 (45776): C:/Windows/system32/cmd.exe exited; CPU time 1260.390625
14:11:09 (45776): called boinc_finish(0)
0 bytes in 0 Free Blocks.
346 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: 31669648 bytes.
Dumping objects ->
{3835279} normal block at 0x00000247DF4C4E70, 48 bytes long.
 Data: <PATH=D:\Boinc\da> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 5C 64 61 
{3835268} normal block at 0x00000247E1236C50, 32 bytes long.
 Data: <HOME=D:\Boinc\da> 48 4F 4D 45 3D 44 3A 5C 42 6F 69 6E 63 5C 64 61 
{3835257} normal block at 0x00000247E1236BF0, 32 bytes long.
 Data: <TMP=D:\Boinc\dat> 54 4D 50 3D 44 3A 5C 42 6F 69 6E 63 5C 64 61 74 
{3835246} normal block at 0x00000247E1237190, 32 bytes long.
 Data: <TEMP=D:\Boinc\da> 54 45 4D 50 3D 44 3A 5C 42 6F 69 6E 63 5C 64 61 
{3835235} normal block at 0x00000247E1237010, 32 bytes long.
 Data: <TMPDIR=D:\Boinc\> 54 4D 50 44 49 52 3D 44 3A 5C 42 6F 69 6E 63 5C 
{3835204} normal block at 0x00000247DF4C4D90, 48 bytes long.
 Data: <PATH=D:\Boinc\da> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 5C 64 61 
{3835193} normal block at 0x00000247E11FDC00, 85 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) : {3835190} normal block at 0x00000247DF4BF230, 8 bytes long.
 Data: <  &#149;&#223;G   > 00 00 95 DF 47 02 00 00 
{3834567} normal block at 0x00000247E11FDB60, 85 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 0x00000247DF4BEB50, 8 bytes long.
 Data: < :$&#225;G   > 00 3A 24 E1 47 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000247DF4C14D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000247DF4B6D40, 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 0x00000247DF4C5510, 16 bytes long.
 Data: <hfL&#223;G           > 68 66 4C DF 47 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000247DF4C5F60, 16 bytes long.
 Data: <@fL&#223;G           > 40 66 4C DF 47 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000247DF4BFC60, 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 0x00000247DF4C53D0, 16 bytes long.
 Data: < fL&#223;G           > 18 66 4C DF 47 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000247DF4C5560, 16 bytes long.
 Data: <&#240;eL&#223;G           > F0 65 4C DF 47 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000247DF4C5830, 16 bytes long.
 Data: <&#200;eL&#223;G           > C8 65 4C DF 47 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000247DF4C5DD0, 16 bytes long.
 Data: <&#160;eL&#223;G           > A0 65 4C DF 47 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000247DF4C48C0, 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 0x00000247DF4C5B00, 16 bytes long.
 Data: < &#182;J&#223;G           > 18 B6 4A DF 47 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000247DF4BFE40, 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 0x00000247DF4C55B0, 16 bytes long.
 Data: <&#240;&#181;J&#223;G           > F0 B5 4A DF 47 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000247DF4C5880, 16 bytes long.
 Data: <&#200;&#181;J&#223;G           > C8 B5 4A DF 47 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000247DF4C5740, 16 bytes long.
 Data: <&#160;&#181;J&#223;G           > A0 B5 4A DF 47 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000247DF4C56F0, 16 bytes long.
 Data: <x&#181;J&#223;G           > 78 B5 4A DF 47 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000247DF4C56A0, 16 bytes long.
 Data: <P&#181;J&#223;G           > 50 B5 4A DF 47 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000247DF4C5C40, 16 bytes long.
 Data: <(&#181;J&#223;G           > 28 B5 4A DF 47 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000247DF4BFB40, 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 0x00000247DF4C5650, 16 bytes long.
 Data: < &#181;J&#223;G           > 00 B5 4A DF 47 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000247DF4AB500, 320 bytes long.
 Data: <PVL&#223;G   @&#251;K&#223;G   > 50 56 4C DF 47 02 00 00 40 FB 4B DF 47 02 00 00 
{276} normal block at 0x00000247DF4C5D80, 16 bytes long.
 Data: < eL&#223;G           > 80 65 4C DF 47 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000247DF4C5E20, 16 bytes long.
 Data: <XeL&#223;G           > 58 65 4C DF 47 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000247DF4BFD20, 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 0x00000247DF4C60A0, 16 bytes long.
 Data: <0eL&#223;G           > 30 65 4C DF 47 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000247DF4C05C0, 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 0x00000247DF4C5BF0, 16 bytes long.
 Data: <xdL&#223;G           > 78 64 4C DF 47 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000247DF4C5F10, 16 bytes long.
 Data: <PdL&#223;G           > 50 64 4C DF 47 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000247DF4C5420, 16 bytes long.
 Data: <(dL&#223;G           > 28 64 4C DF 47 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000247DF4C54C0, 16 bytes long.
 Data: < dL&#223;G           > 00 64 4C DF 47 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000247DF4C5600, 16 bytes long.
 Data: <&#216;cL&#223;G           > D8 63 4C DF 47 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000247DF4C5D30, 16 bytes long.
 Data: <&#176;cL&#223;G           > B0 63 4C DF 47 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000247DF4C5BA0, 16 bytes long.
 Data: <&#160;IL&#223;G           > A0 49 4C DF 47 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000247DF4C49A0, 40 bytes long.
 Data: <&#160;[L&#223;G    ML&#223;G   > A0 5B 4C DF 47 02 00 00 90 4D 4C DF 47 02 00 00 
{262} normal block at 0x00000247DF4C5470, 16 bytes long.
 Data: < cL&#223;G           > 90 63 4C DF 47 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000247DF4C5CE0, 16 bytes long.
 Data: <hcL&#223;G           > 68 63 4C DF 47 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000247DF4C00E0, 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 0x00000247DF4C57E0, 16 bytes long.
 Data: <@cL&#223;G           > 40 63 4C DF 47 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000247DF4C6340, 992 bytes long.
 Data: <&#224;WL&#223;G   &#224; L&#223;G   > E0 57 4C DF 47 02 00 00 E0 00 4C DF 47 02 00 00 
{94} normal block at 0x00000247DF4C04A0, 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 0x00000247DF4BF410, 16 bytes long.
 Data: <&#192;&#239;J&#223;G           > C0 EF 4A DF 47 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x00000247DF4AEFC0, 40 bytes long.
 Data: < &#244;K&#223;G   &#160; L&#223;G   > 10 F4 4B DF 47 02 00 00 A0 04 4C DF 47 02 00 00 
{71} normal block at 0x00000247DF4BEEC0, 16 bytes long.
 Data: < &#234;&#215;>&#246;           > 80 EA D7 3E F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000247DF4BEC40, 16 bytes long.
 Data: <@&#233;&#215;>&#246;           > 40 E9 D7 3E F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000247DF4BF4B0, 16 bytes long.
 Data: <&#248;W&#212;>&#246;           > F8 57 D4 3E F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000247DF4BEF60, 16 bytes long.
 Data: <&#216;W&#212;>&#246;           > D8 57 D4 3E F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000247DF4BF550, 16 bytes long.
 Data: <P &#212;>&#246;           > 50 04 D4 3E F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000247DF4BE8D0, 16 bytes long.
 Data: <0 &#212;>&#246;           > 30 04 D4 3E F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000247DF4BF2D0, 16 bytes long.
 Data: <&#224; &#212;>&#246;           > E0 02 D4 3E F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000247DF4BEB00, 16 bytes long.
 Data: <  &#212;>&#246;           > 10 04 D4 3E F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000247DF4BEA10, 16 bytes long.
 Data: <p &#212;>&#246;           > 70 04 D4 3E F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000247DF4BEBF0, 16 bytes long.
 Data: < &#192;&#210;>&#246;           > 18 C0 D2 3E F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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