Task 38680097

Name test_372-GPUGRID_TEST_ATM_40STEP_20261023-25-40-RND5678_0
Workunit 31621839
Created 26 Oct 2026, 22:47:36 UTC
Sent 26 Oct 2026, 22:47:46 UTC
Report deadline 31 Oct 2026, 22:47:46 UTC
Received 27 Oct 2026, 4:06:32 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652006
Run time 1 hours 4 min 17 sec
CPU time 1 hours 3 min 45 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,302.18 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 728.02 MB
Peak swap size 12.89 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
20:02:47 (14468): wrapper (7.9.26016): starting
20:02:47 (14468): 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
20:02:50 (14468): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:02:50 (14468): 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\26\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\26\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
21:05:55 (14468): C:/Windows/system32/cmd.exe exited; CPU time 3825.390625
21:05:55 (14468): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 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: 53908046 bytes.
Dumping objects ->
{3835270} normal block at 0x000001FFBEE91100, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835259} normal block at 0x000001FFBEE91170, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835248} normal block at 0x000001FFBEE90ED0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835237} normal block at 0x000001FFBEE91330, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835226} normal block at 0x000001FFBEE911E0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835195} normal block at 0x000001FFBEF3BB80, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835184} normal block at 0x000001FFBEF3C970, 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) : {3835181} normal block at 0x000001FFBD2D6820, 8 bytes long.
 Data: <  '&#189;&#255;   > 00 00 27 BD FF 01 00 00 
{3834558} normal block at 0x000001FFBEF3C290, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833951} normal block at 0x000001FFBD2D6050, 8 bytes long.
 Data: <@/&#233;&#190;&#255;   > 40 2F E9 BE FF 01 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000001FFBD2E03E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001FFBD2CCAB0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{291} normal block at 0x000001FFBD2E1420, 16 bytes long.
 Data: < ;.&#189;&#255;           > 18 3B 2E BD FF 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001FFBD2E1A60, 16 bytes long.
 Data: <&#240;:.&#189;&#255;           > F0 3A 2E BD FF 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001FFBD2DCAE0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{288} normal block at 0x000001FFBD2E2320, 16 bytes long.
 Data: <&#200;:.&#189;&#255;           > C8 3A 2E BD FF 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001FFBD2E2370, 16 bytes long.
 Data: <&#160;:.&#189;&#255;           > A0 3A 2E BD FF 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001FFBD2E19C0, 16 bytes long.
 Data: <x:.&#189;&#255;           > 78 3A 2E BD FF 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001FFBD2E22D0, 16 bytes long.
 Data: <P:.&#189;&#255;           > 50 3A 2E BD FF 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001FFBD2DAEA0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{283} normal block at 0x000001FFBD2E2280, 16 bytes long.
 Data: < &#181;,&#189;&#255;           > 88 B5 2C BD FF 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001FFBD2DC540, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{281} normal block at 0x000001FFBD2E1970, 16 bytes long.
 Data: <`&#181;,&#189;&#255;           > 60 B5 2C BD FF 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001FFBD2E2140, 16 bytes long.
 Data: <8&#181;,&#189;&#255;           > 38 B5 2C BD FF 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001FFBD2E1A10, 16 bytes long.
 Data: < &#181;,&#189;&#255;           > 10 B5 2C BD FF 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001FFBD2E15B0, 16 bytes long.
 Data: <&#232;&#180;,&#189;&#255;           > E8 B4 2C BD FF 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001FFBD2E2230, 16 bytes long.
 Data: <&#192;&#180;,&#189;&#255;           > C0 B4 2C BD FF 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001FFBD2E1FB0, 16 bytes long.
 Data: < &#180;,&#189;&#255;           > 98 B4 2C BD FF 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001FFBD2DD140, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{273} normal block at 0x000001FFBD2E17E0, 16 bytes long.
 Data: <p&#180;,&#189;&#255;           > 70 B4 2C BD FF 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001FFBD2CB470, 320 bytes long.
 Data: <&#224; .&#189;&#255;   @&#209;-&#189;&#255;   > E0 17 2E BD FF 01 00 00 40 D1 2D BD FF 01 00 00 
{271} normal block at 0x000001FFBD2E2190, 16 bytes long.
 Data: <0:.&#189;&#255;           > 30 3A 2E BD FF 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001FFBD2E1510, 16 bytes long.
 Data: < :.&#189;&#255;           > 08 3A 2E BD FF 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001FFBD2DCA80, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{268} normal block at 0x000001FFBD2E1BA0, 16 bytes long.
 Data: <&#224;9.&#189;&#255;           > E0 39 2E BD FF 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001FFBD2DCA20, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{266} normal block at 0x000001FFBD2E21E0, 16 bytes long.
 Data: <(9.&#189;&#255;           > 28 39 2E BD FF 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001FFBD2E1470, 16 bytes long.
 Data: < 9.&#189;&#255;           > 00 39 2E BD FF 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001FFBD2E1E20, 16 bytes long.
 Data: <&#216;8.&#189;&#255;           > D8 38 2E BD FF 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001FFBD2E16A0, 16 bytes long.
 Data: <&#176;8.&#189;&#255;           > B0 38 2E BD FF 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001FFBD2E20A0, 16 bytes long.
 Data: < 8.&#189;&#255;           > 88 38 2E BD FF 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001FFBD2E1F60, 16 bytes long.
 Data: <`8.&#189;&#255;           > 60 38 2E BD FF 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001FFBD2E1DD0, 16 bytes long.
 Data: <&#192;&#173;-&#189;&#255;           > C0 AD 2D BD FF 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001FFBD2DADC0, 40 bytes long.
 Data: <&#208; .&#189;&#255;    &#187;&#243;&#190;&#255;   > D0 1D 2E BD FF 01 00 00 80 BB F3 BE FF 01 00 00 
{257} normal block at 0x000001FFBD2E1CE0, 16 bytes long.
 Data: <@8.&#189;&#255;           > 40 38 2E BD FF 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001FFBD2E1650, 16 bytes long.
 Data: < 8.&#189;&#255;           > 18 38 2E BD FF 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001FFBD2DC840, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{254} normal block at 0x000001FFBD2E2050, 16 bytes long.
 Data: <&#240;7.&#189;&#255;           > F0 37 2E BD FF 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001FFBD2E37F0, 992 bytes long.
 Data: <P .&#189;&#255;   @&#200;-&#189;&#255;   > 50 20 2E BD FF 01 00 00 40 C8 2D BD FF 01 00 00 
{89} normal block at 0x000001FFBD2DCEA0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{88} normal block at 0x000001FFBD2D6BE0, 16 bytes long.
 Data: <0&#174;-&#189;&#255;           > 30 AE 2D BD FF 01 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x000001FFBD2DAE30, 40 bytes long.
 Data: <&#224;k-&#189;&#255;   &#160;&#206;-&#189;&#255;   > E0 6B 2D BD FF 01 00 00 A0 CE 2D BD FF 01 00 00 
{66} normal block at 0x000001FFBD2D6550, 16 bytes long.
 Data: < &#234;L7&#246;           > 80 EA 4C 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001FFBD2D63C0, 16 bytes long.
 Data: <@&#233;L7&#246;           > 40 E9 4C 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001FFBD2D5F10, 16 bytes long.
 Data: <&#248;WI7&#246;           > F8 57 49 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001FFBD2D60A0, 16 bytes long.
 Data: <&#216;WI7&#246;           > D8 57 49 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001FFBD2D6500, 16 bytes long.
 Data: <P I7&#246;           > 50 04 49 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001FFBD2D6A50, 16 bytes long.
 Data: <0 I7&#246;           > 30 04 49 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001FFBD2D6B90, 16 bytes long.
 Data: <&#224; I7&#246;           > E0 02 49 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001FFBD2D6320, 16 bytes long.
 Data: <  I7&#246;           > 10 04 49 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001FFBD2D62D0, 16 bytes long.
 Data: <p I7&#246;           > 70 04 49 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001FFBD2D6780, 16 bytes long.
 Data: < &#192;G7&#246;           > 18 C0 47 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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