Task 38679912

Name test_651-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND8236_0
Workunit 31621669
Created 26 Oct 2026, 22:10:46 UTC
Sent 26 Oct 2026, 22:10:50 UTC
Report deadline 31 Oct 2026, 22:10:50 UTC
Received 26 Oct 2026, 22:38:59 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 641471
Run time 26 min 45 sec
CPU time 24 min 33 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 44,609.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 728.96 MB
Peak swap size 8.47 GB
Peak disk usage 3.11 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
22:12:03 (18344): wrapper (7.9.26016): starting
22:12:03 (18344): 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
22:12:04 (18344): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:12:04 (18344): 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\17\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\17\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
22:37:53 (18344): C:/Windows/system32/cmd.exe exited; CPU time 1473.265625
22:37:53 (18344): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 29084153 bytes.
Dumping objects ->
{3835253} normal block at 0x000001E0F365DF20, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835242} normal block at 0x000001E0F1955870, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835231} normal block at 0x000001E0F1955800, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835220} normal block at 0x000001E0F1955790, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835209} normal block at 0x000001E0F1955E20, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835178} normal block at 0x000001E0F36A94D0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835165} normal block at 0x000001E0F1951090, 8 bytes long.
 Data: <  &#146;&#241;&#224;   > 00 00 92 F1 E0 01 00 00 
{3833961} normal block at 0x000001E0F19516D0, 8 bytes long.
 Data: <p&#223;&#162;&#241;&#224;   > 70 DF A2 F1 E0 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001E0F19522D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001E0F1946F80, 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 0x000001E0F19569C0, 16 bytes long.
 Data: < g&#149;&#241;&#224;           > 88 67 95 F1 E0 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001E0F19570F0, 16 bytes long.
 Data: <`g&#149;&#241;&#224;           > 60 67 95 F1 E0 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001E0F194FB90, 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 0x000001E0F19577D0, 16 bytes long.
 Data: <8g&#149;&#241;&#224;           > 38 67 95 F1 E0 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001E0F1956BA0, 16 bytes long.
 Data: < g&#149;&#241;&#224;           > 10 67 95 F1 E0 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001E0F1956C40, 16 bytes long.
 Data: <&#232;f&#149;&#241;&#224;           > E8 66 95 F1 E0 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001E0F1956E70, 16 bytes long.
 Data: <&#192;f&#149;&#241;&#224;           > C0 66 95 F1 E0 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001E0F1955CD0, 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 0x000001E0F1957320, 16 bytes long.
 Data: <h`&#149;&#241;&#224;           > 68 60 95 F1 E0 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001E0F194F830, 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 0x000001E0F1957460, 16 bytes long.
 Data: <@`&#149;&#241;&#224;           > 40 60 95 F1 E0 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001E0F1956FB0, 16 bytes long.
 Data: < `&#149;&#241;&#224;           > 18 60 95 F1 E0 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001E0F1956D80, 16 bytes long.
 Data: <&#240;_&#149;&#241;&#224;           > F0 5F 95 F1 E0 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001E0F19568D0, 16 bytes long.
 Data: <&#200;_&#149;&#241;&#224;           > C8 5F 95 F1 E0 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001E0F1956E20, 16 bytes long.
 Data: <&#160;_&#149;&#241;&#224;           > A0 5F 95 F1 E0 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001E0F1956F60, 16 bytes long.
 Data: <x_&#149;&#241;&#224;           > 78 5F 95 F1 E0 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001E0F1950490, 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 0x000001E0F1956F10, 16 bytes long.
 Data: <P_&#149;&#241;&#224;           > 50 5F 95 F1 E0 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001E0F1955F50, 320 bytes long.
 Data: < o&#149;&#241;&#224;     &#149;&#241;&#224;   > 10 6F 95 F1 E0 01 00 00 90 04 95 F1 E0 01 00 00 
{276} normal block at 0x000001E0F1956D30, 16 bytes long.
 Data: <&#160;f&#149;&#241;&#224;           > A0 66 95 F1 E0 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001E0F1957820, 16 bytes long.
 Data: <xf&#149;&#241;&#224;           > 78 66 95 F1 E0 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001E0F194FDD0, 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 0x000001E0F1956EC0, 16 bytes long.
 Data: <Pf&#149;&#241;&#224;           > 50 66 95 F1 E0 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001E0F1950610, 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 0x000001E0F1957780, 16 bytes long.
 Data: < e&#149;&#241;&#224;           > 98 65 95 F1 E0 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001E0F1957280, 16 bytes long.
 Data: <pe&#149;&#241;&#224;           > 70 65 95 F1 E0 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001E0F1956DD0, 16 bytes long.
 Data: <He&#149;&#241;&#224;           > 48 65 95 F1 E0 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001E0F1957000, 16 bytes long.
 Data: < e&#149;&#241;&#224;           > 20 65 95 F1 E0 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001E0F19508C0, 16 bytes long.
 Data: <&#248;d&#149;&#241;&#224;           > F8 64 95 F1 E0 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001E0F1950DC0, 16 bytes long.
 Data: <&#208;d&#149;&#241;&#224;           > D0 64 95 F1 E0 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001E0F19507D0, 16 bytes long.
 Data: <&#160;Z&#149;&#241;&#224;           > A0 5A 95 F1 E0 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001E0F1955AA0, 40 bytes long.
 Data: <&#208; &#149;&#241;&#224;   &#208;&#148;j&#243;&#224;   > D0 07 95 F1 E0 01 00 00 D0 94 6A F3 E0 01 00 00 
{262} normal block at 0x000001E0F1950780, 16 bytes long.
 Data: <&#176;d&#149;&#241;&#224;           > B0 64 95 F1 E0 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001E0F1950B90, 16 bytes long.
 Data: < d&#149;&#241;&#224;           > 88 64 95 F1 E0 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001E0F194F950, 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 0x000001E0F1950B40, 16 bytes long.
 Data: <`d&#149;&#241;&#224;           > 60 64 95 F1 E0 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001E0F1956460, 992 bytes long.
 Data: <@ &#149;&#241;&#224;   P&#249;&#148;&#241;&#224;   > 40 0B 95 F1 E0 01 00 00 50 F9 94 F1 E0 01 00 00 
{94} normal block at 0x000001E0F194FAD0, 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 0x000001E0F1950FF0, 16 bytes long.
 Data: < &#231;&#147;&#241;&#224;           > 90 E7 93 F1 E0 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001E0F193E790, 40 bytes long.
 Data: <&#240; &#149;&#241;&#224;   &#208;&#250;&#148;&#241;&#224;   > F0 0F 95 F1 E0 01 00 00 D0 FA 94 F1 E0 01 00 00 
{71} normal block at 0x000001E0F1951400, 16 bytes long.
 Data: < &#234;tx&#247;           > 80 EA 74 78 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001E0F1950FA0, 16 bytes long.
 Data: <@&#233;tx&#247;           > 40 E9 74 78 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001E0F1950960, 16 bytes long.
 Data: <&#248;Wqx&#247;           > F8 57 71 78 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001E0F1951270, 16 bytes long.
 Data: <&#216;Wqx&#247;           > D8 57 71 78 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001E0F1950D20, 16 bytes long.
 Data: <P qx&#247;           > 50 04 71 78 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001E0F1951220, 16 bytes long.
 Data: <0 qx&#247;           > 30 04 71 78 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001E0F19513B0, 16 bytes long.
 Data: <&#224; qx&#247;           > E0 02 71 78 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001E0F19512C0, 16 bytes long.
 Data: <  qx&#247;           > 10 04 71 78 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001E0F1951540, 16 bytes long.
 Data: <p qx&#247;           > 70 04 71 78 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001E0F1950820, 16 bytes long.
 Data: < &#192;ox&#247;           > 18 C0 6F 78 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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