Task 38659598

Name test_1571-GPUGRID_TEST_ATM_2STEP_20261024-0-2-RND9512_0
Workunit 31603142
Created 24 Oct 2026, 13:31:04 UTC
Sent 24 Oct 2026, 15:54:42 UTC
Report deadline 29 Oct 2026, 15:54:42 UTC
Received 24 Oct 2026, 16:24:14 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 559888
Run time 22 min 6 sec
CPU time 20 min 10 sec
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 748.11 MB
Peak swap size 13.25 GB
Peak disk usage 3.45 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:00:43 (27408): wrapper (7.9.26016): starting
17:00:43 (27408): 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
17:00:45 (27408): Library/usr/bin/tar.exe exited; CPU time 0.015625
17:00:45 (27408): 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\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 'D:\Boinc\data\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
17:21:10 (27408): C:/Windows/system32/cmd.exe exited; CPU time 1210.328125
17:21:10 (27408): 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: 30418766 bytes.
Dumping objects ->
{3835279} normal block at 0x00000243D2834BE0, 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 0x00000243D4576DB0, 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 0x00000243D45771D0, 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 0x00000243D4576ED0, 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 0x00000243D4576CF0, 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 0x00000243D2834B00, 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 0x00000243D453D2A0, 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 0x00000243D282F580, 8 bytes long.
 Data: <  &#208;&#210;C   > 00 00 D0 D2 43 02 00 00 
{3834567} normal block at 0x00000243D453C4E0, 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 0x00000243D282F120, 8 bytes long.
 Data: < &#234;;&#212;C   > 00 EA 3B D4 43 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000243D2831410, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000243D2826020, 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 0x00000243D2835D10, 16 bytes long.
 Data: <&#232;f&#131;&#210;C           > E8 66 83 D2 43 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000243D2835AE0, 16 bytes long.
 Data: <&#192;f&#131;&#210;C           > C0 66 83 D2 43 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000243D2830340, 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 0x00000243D2836350, 16 bytes long.
 Data: < f&#131;&#210;C           > 98 66 83 D2 43 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000243D2836170, 16 bytes long.
 Data: <pf&#131;&#210;C           > 70 66 83 D2 43 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000243D2835C70, 16 bytes long.
 Data: <Hf&#131;&#210;C           > 48 66 83 D2 43 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000243D2835FE0, 16 bytes long.
 Data: < f&#131;&#210;C           > 20 66 83 D2 43 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000243D2834EF0, 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 0x00000243D2835DB0, 16 bytes long.
 Data: <h&#239; &#210;C           > 68 EF 81 D2 43 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000243D2830160, 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 0x00000243D2835D60, 16 bytes long.
 Data: <@&#239; &#210;C           > 40 EF 81 D2 43 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000243D2836300, 16 bytes long.
 Data: < &#239; &#210;C           > 18 EF 81 D2 43 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000243D2835F90, 16 bytes long.
 Data: <&#240;&#238; &#210;C           > F0 EE 81 D2 43 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000243D2835A90, 16 bytes long.
 Data: <&#200;&#238; &#210;C           > C8 EE 81 D2 43 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000243D2836080, 16 bytes long.
 Data: <&#160;&#238; &#210;C           > A0 EE 81 D2 43 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000243D2835680, 16 bytes long.
 Data: <x&#238; &#210;C           > 78 EE 81 D2 43 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000243D28301C0, 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 0x00000243D2835900, 16 bytes long.
 Data: <P&#238; &#210;C           > 50 EE 81 D2 43 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000243D281EE50, 320 bytes long.
 Data: < Y&#131;&#210;C   &#192; &#131;&#210;C   > 00 59 83 D2 43 02 00 00 C0 01 83 D2 43 02 00 00 
{276} normal block at 0x00000243D2835630, 16 bytes long.
 Data: < f&#131;&#210;C           > 00 66 83 D2 43 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000243D2835E00, 16 bytes long.
 Data: <&#216;e&#131;&#210;C           > D8 65 83 D2 43 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000243D2830760, 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 0x00000243D2835EA0, 16 bytes long.
 Data: <&#176;e&#131;&#210;C           > B0 65 83 D2 43 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000243D282FBC0, 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 0x00000243D2836260, 16 bytes long.
 Data: <&#248;d&#131;&#210;C           > F8 64 83 D2 43 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000243D28355E0, 16 bytes long.
 Data: <&#208;d&#131;&#210;C           > D0 64 83 D2 43 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000243D2835810, 16 bytes long.
 Data: <&#168;d&#131;&#210;C           > A8 64 83 D2 43 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000243D2835CC0, 16 bytes long.
 Data: < d&#131;&#210;C           > 80 64 83 D2 43 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000243D28357C0, 16 bytes long.
 Data: <Xd&#131;&#210;C           > 58 64 83 D2 43 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000243D2835EF0, 16 bytes long.
 Data: <0d&#131;&#210;C           > 30 64 83 D2 43 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000243D2835F40, 16 bytes long.
 Data: <pK&#131;&#210;C           > 70 4B 83 D2 43 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000243D2834B70, 40 bytes long.
 Data: <@_&#131;&#210;C    K&#131;&#210;C   > 40 5F 83 D2 43 02 00 00 00 4B 83 D2 43 02 00 00 
{262} normal block at 0x00000243D2835E50, 16 bytes long.
 Data: < d&#131;&#210;C           > 10 64 83 D2 43 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000243D2835450, 16 bytes long.
 Data: <&#232;c&#131;&#210;C           > E8 63 83 D2 43 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000243D282FAA0, 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 0x00000243D2835590, 16 bytes long.
 Data: <&#192;c&#131;&#210;C           > C0 63 83 D2 43 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000243D28363C0, 992 bytes long.
 Data: < U&#131;&#210;C   &#160;&#250;&#130;&#210;C   > 90 55 83 D2 43 02 00 00 A0 FA 82 D2 43 02 00 00 
{94} normal block at 0x00000243D282FC80, 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 0x00000243D282F710, 16 bytes long.
 Data: <&#224;&#211; &#210;C           > E0 D3 81 D2 43 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x00000243D281D3E0, 40 bytes long.
 Data: < &#247;&#130;&#210;C    &#252;&#130;&#210;C   > 10 F7 82 D2 43 02 00 00 80 FC 82 D2 43 02 00 00 
{71} normal block at 0x00000243D282EB80, 16 bytes long.
 Data: < &#234;N.&#246;           > 80 EA 4E 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000243D282F670, 16 bytes long.
 Data: <@&#233;N.&#246;           > 40 E9 4E 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000243D282EA40, 16 bytes long.
 Data: <&#248;WK.&#246;           > F8 57 4B 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000243D282EE50, 16 bytes long.
 Data: <&#216;WK.&#246;           > D8 57 4B 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000243D282EE00, 16 bytes long.
 Data: <P K.&#246;           > 50 04 4B 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000243D282EC70, 16 bytes long.
 Data: <0 K.&#246;           > 30 04 4B 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000243D282F530, 16 bytes long.
 Data: <&#224; K.&#246;           > E0 02 4B 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000243D282EAE0, 16 bytes long.
 Data: <  K.&#246;           > 10 04 4B 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000243D282EF90, 16 bytes long.
 Data: <p K.&#246;           > 70 04 4B 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000243D282EDB0, 16 bytes long.
 Data: < &#192;I.&#246;           > 18 C0 49 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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