Task 38680710

Name test_48-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND5772_0
Workunit 31622418
Created 27 Oct 2026, 0:56:00 UTC
Sent 27 Oct 2026, 0:56:02 UTC
Report deadline 1 Nov 2026, 0:56:02 UTC
Received 27 Oct 2026, 3:05:44 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 649737
Run time 1 hours 3 min 22 sec
CPU time 1 hours 0 min 45 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 4,635.92 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 672.29 MB
Peak swap size 3.71 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
15:02:53 (1516): wrapper (7.9.26016): starting
15:02:53 (1516): 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
15:02:55 (1516): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:02:55 (1516): 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\4\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\4\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
16:04:56 (1516): C:/Windows/system32/cmd.exe exited; CPU time 3645.781250
16:04:56 (1516): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 61446929 bytes.
Dumping objects ->
{3835297} normal block at 0x000001FEA73CF7F0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835286} normal block at 0x000001FEA73CFCC0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835275} normal block at 0x000001FEA73D0200, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835264} normal block at 0x000001FEA579DBE0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835253} normal block at 0x000001FEA579DB00, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835222} normal block at 0x000001FEA72AE6F0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835211} normal block at 0x000001FEA7310DF0, 102 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) : {3835208} normal block at 0x000001FEA5798740, 8 bytes long.
 Data: <   &#167;&#254;   > 00 00 0C A7 FE 01 00 00 
{3834578} normal block at 0x000001FEA7310D40, 102 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 0x000001FEA57988D0, 8 bytes long.
 Data: <&#160; 0&#167;&#254;   > A0 9D 30 A7 FE 01 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000001FEA57A1850, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001FEA5785CC0, 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 0x000001FEA57A31F0, 16 bytes long.
 Data: < Kz&#165;&#254;           > 08 4B 7A A5 FE 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001FEA57A2ED0, 16 bytes long.
 Data: <&#224;Jz&#165;&#254;           > E0 4A 7A A5 FE 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001FEA57991B0, 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 0x000001FEA57A2FC0, 16 bytes long.
 Data: <&#184;Jz&#165;&#254;           > B8 4A 7A A5 FE 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001FEA57A2B60, 16 bytes long.
 Data: < Jz&#165;&#254;           > 90 4A 7A A5 FE 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001FEA57A2BB0, 16 bytes long.
 Data: <hJz&#165;&#254;           > 68 4A 7A A5 FE 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001FEA57A27A0, 16 bytes long.
 Data: <@Jz&#165;&#254;           > 40 4A 7A A5 FE 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001FEA579DE10, 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 0x000001FEA57A2E80, 16 bytes long.
 Data: <X\x&#165;&#254;           > 58 5C 78 A5 FE 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001FEA5799090, 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 0x000001FEA57A2700, 16 bytes long.
 Data: <0\x&#165;&#254;           > 30 5C 78 A5 FE 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001FEA57A35B0, 16 bytes long.
 Data: < \x&#165;&#254;           > 08 5C 78 A5 FE 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001FEA57A3560, 16 bytes long.
 Data: <&#224;[x&#165;&#254;           > E0 5B 78 A5 FE 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001FEA57A2B10, 16 bytes long.
 Data: <&#184;[x&#165;&#254;           > B8 5B 78 A5 FE 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001FEA57A2AC0, 16 bytes long.
 Data: < [x&#165;&#254;           > 90 5B 78 A5 FE 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001FEA57A3240, 16 bytes long.
 Data: <h[x&#165;&#254;           > 68 5B 78 A5 FE 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001FEA57998D0, 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 0x000001FEA57A2A20, 16 bytes long.
 Data: <@[x&#165;&#254;           > 40 5B 78 A5 FE 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001FEA5785B40, 320 bytes long.
 Data: < *z&#165;&#254;   &#208; y&#165;&#254;   > 20 2A 7A A5 FE 01 00 00 D0 98 79 A5 FE 01 00 00 
{271} normal block at 0x000001FEA57A34C0, 16 bytes long.
 Data: < Jz&#165;&#254;           > 20 4A 7A A5 FE 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001FEA57A2DE0, 16 bytes long.
 Data: <&#248;Iz&#165;&#254;           > F8 49 7A A5 FE 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001FEA5799330, 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 0x000001FEA57A3470, 16 bytes long.
 Data: <&#208;Iz&#165;&#254;           > D0 49 7A A5 FE 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001FEA5799270, 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 0x000001FEA57A2A70, 16 bytes long.
 Data: < Iz&#165;&#254;           > 18 49 7A A5 FE 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001FEA57A2D40, 16 bytes long.
 Data: <&#240;Hz&#165;&#254;           > F0 48 7A A5 FE 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001FEA57A3290, 16 bytes long.
 Data: <&#200;Hz&#165;&#254;           > C8 48 7A A5 FE 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001FEA57A2840, 16 bytes long.
 Data: <&#160;Hz&#165;&#254;           > A0 48 7A A5 FE 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001FEA57A2CF0, 16 bytes long.
 Data: <xHz&#165;&#254;           > 78 48 7A A5 FE 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001FEA57A2750, 16 bytes long.
 Data: <PHz&#165;&#254;           > 50 48 7A A5 FE 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001FEA57A2660, 16 bytes long.
 Data: < &#222;y&#165;&#254;           > 80 DE 79 A5 FE 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001FEA579DE80, 40 bytes long.
 Data: <`&z&#165;&#254;   &#240;&#230;*&#167;&#254;   > 60 26 7A A5 FE 01 00 00 F0 E6 2A A7 FE 01 00 00 
{257} normal block at 0x000001FEA57A3100, 16 bytes long.
 Data: <0Hz&#165;&#254;           > 30 48 7A A5 FE 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001FEA57A29D0, 16 bytes long.
 Data: < Hz&#165;&#254;           > 08 48 7A A5 FE 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001FEA5799210, 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 0x000001FEA57A2C00, 16 bytes long.
 Data: <&#224;Gz&#165;&#254;           > E0 47 7A A5 FE 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001FEA57A47E0, 992 bytes long.
 Data: < ,z&#165;&#254;    &#146;y&#165;&#254;   > 00 2C 7A A5 FE 01 00 00 10 92 79 A5 FE 01 00 00 
{89} normal block at 0x000001FEA5799C90, 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 0x000001FEA57986F0, 16 bytes long.
 Data: <0&#221;y&#165;&#254;           > 30 DD 79 A5 FE 01 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x000001FEA579DD30, 40 bytes long.
 Data: <&#240;&#134;y&#165;&#254;    &#156;y&#165;&#254;   > F0 86 79 A5 FE 01 00 00 90 9C 79 A5 FE 01 00 00 
{66} normal block at 0x000001FEA57983D0, 16 bytes long.
 Data: < &#234;&#156;&#173;&#246;           > 80 EA 9C AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001FEA5798970, 16 bytes long.
 Data: <@&#233;&#156;&#173;&#246;           > 40 E9 9C AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001FEA5797E80, 16 bytes long.
 Data: <&#248;W &#173;&#246;           > F8 57 99 AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001FEA5798880, 16 bytes long.
 Data: <&#216;W &#173;&#246;           > D8 57 99 AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001FEA5798650, 16 bytes long.
 Data: <P  &#173;&#246;           > 50 04 99 AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001FEA5798C40, 16 bytes long.
 Data: <0  &#173;&#246;           > 30 04 99 AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001FEA5798BF0, 16 bytes long.
 Data: <&#224;  &#173;&#246;           > E0 02 99 AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001FEA5798B00, 16 bytes long.
 Data: <   &#173;&#246;           > 10 04 99 AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001FEA5798290, 16 bytes long.
 Data: <p  &#173;&#246;           > 70 04 99 AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001FEA5798600, 16 bytes long.
 Data: < &#192;&#151;&#173;&#246;           > 18 C0 97 AD F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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