Task 38685834

Name test_925-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND9753_0
Workunit 31627288
Created 27 Oct 2026, 23:12:05 UTC
Sent 27 Oct 2026, 23:12:10 UTC
Report deadline 1 Nov 2026, 23:12:10 UTC
Received 28 Oct 2026, 0:02:52 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 610527
Run time 49 min 48 sec
CPU time 43 min 15 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,741.16 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 692.13 MB
Peak swap size 8.37 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:13:49 (30336): wrapper (7.9.26016): starting
18:13:49 (30336): 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
18:13:51 (30336): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:13:51 (30336): 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\19\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\19\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
19:02:15 (30336): C:/Windows/system32/cmd.exe exited; CPU time 2595.031250
19:02:15 (30336): called boinc_finish(0)
0 bytes in 0 Free Blocks.
766 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: 57203905 bytes.
Dumping objects ->
{3835255} normal block at 0x00000299288E4890, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835244} normal block at 0x00000299288E4820, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835233} normal block at 0x00000299288E4D60, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835222} normal block at 0x00000299288E4C80, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835211} normal block at 0x00000299288E4C10, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835180} normal block at 0x000002992A627F50, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835169} normal block at 0x00000299288D74C0, 255 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) : {3835166} normal block at 0x00000299288E03D0, 8 bytes long.
 Data: <  &#207;(    > 00 00 CF 28 99 02 00 00 
{3834567} normal block at 0x00000299288D7B00, 255 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833963} normal block at 0x00000299288E0330, 8 bytes long.
 Data: < &#164;c*    > 10 A4 63 2A 99 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x00000299288D7240, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000299288D0630, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x00000299288E5DD0, 16 bytes long.
 Data: <&#200;e&#142;(            > C8 65 8E 28 99 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000299288E5BA0, 16 bytes long.
 Data: <&#160;e&#142;(            > A0 65 8E 28 99 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000299288E10B0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x00000299288E5650, 16 bytes long.
 Data: <xe&#142;(            > 78 65 8E 28 99 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000299288E5B50, 16 bytes long.
 Data: <Pe&#142;(            > 50 65 8E 28 99 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000299288E5790, 16 bytes long.
 Data: <(e&#142;(            > 28 65 8E 28 99 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000299288E5B00, 16 bytes long.
 Data: < e&#142;(            > 00 65 8E 28 99 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000299288E4BA0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x00000299288E5560, 16 bytes long.
 Data: < &#246; (            > 98 F6 8D 28 99 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000299288E07B0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x00000299288E60A0, 16 bytes long.
 Data: <p&#246; (            > 70 F6 8D 28 99 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000299288E5970, 16 bytes long.
 Data: <H&#246; (            > 48 F6 8D 28 99 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000299288E5920, 16 bytes long.
 Data: < &#246; (            > 20 F6 8D 28 99 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000299288E6050, 16 bytes long.
 Data: <&#248;&#245; (            > F8 F5 8D 28 99 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000299288E5AB0, 16 bytes long.
 Data: <&#208;&#245; (            > D0 F5 8D 28 99 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000299288E5880, 16 bytes long.
 Data: <&#168;&#245; (            > A8 F5 8D 28 99 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000299288E1590, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x00000299288E5510, 16 bytes long.
 Data: < &#245; (            > 80 F5 8D 28 99 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000299288DF580, 320 bytes long.
 Data: < U&#142;(      &#142;(    > 10 55 8E 28 99 02 00 00 90 15 8E 28 99 02 00 00 
{277} normal block at 0x00000299288E54C0, 16 bytes long.
 Data: <&#224;d&#142;(            > E0 64 8E 28 99 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000299288E5830, 16 bytes long.
 Data: <&#184;d&#142;(            > B8 64 8E 28 99 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000299288E0F30, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x00000299288E5F10, 16 bytes long.
 Data: < d&#142;(            > 90 64 8E 28 99 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000299288E09F0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x00000299288E5E20, 16 bytes long.
 Data: <&#216;c&#142;(            > D8 63 8E 28 99 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000299288E5330, 16 bytes long.
 Data: <&#176;c&#142;(            > B0 63 8E 28 99 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000299288E6230, 16 bytes long.
 Data: < c&#142;(            > 88 63 8E 28 99 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000299288E5F60, 16 bytes long.
 Data: <`c&#142;(            > 60 63 8E 28 99 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000299288E5EC0, 16 bytes long.
 Data: <8c&#142;(            > 38 63 8E 28 99 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000299288E5420, 16 bytes long.
 Data: < c&#142;(            > 10 63 8E 28 99 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000299288E5A60, 16 bytes long.
 Data: <&#224;I&#142;(            > E0 49 8E 28 99 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000299288E49E0, 40 bytes long.
 Data: <`Z&#142;(    P b*    > 60 5A 8E 28 99 02 00 00 50 7F 62 2A 99 02 00 00 
{263} normal block at 0x00000299288E5470, 16 bytes long.
 Data: <&#240;b&#142;(            > F0 62 8E 28 99 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000299288E53D0, 16 bytes long.
 Data: <&#200;b&#142;(            > C8 62 8E 28 99 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000299288E1350, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x00000299288E52E0, 16 bytes long.
 Data: <&#160;b&#142;(            > A0 62 8E 28 99 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000299288E62A0, 992 bytes long.
 Data: <&#224;R&#142;(    P &#142;(    > E0 52 8E 28 99 02 00 00 50 13 8E 28 99 02 00 00 
{95} normal block at 0x00000299288E0870, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x00000299288DFE80, 16 bytes long.
 Data: <P&#229;&#140;(            > 50 E5 8C 28 99 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x00000299288CE550, 40 bytes long.
 Data: < &#254; (    p &#142;(    > 80 FE 8D 28 99 02 00 00 70 08 8E 28 99 02 00 00 
{72} normal block at 0x00000299288E0060, 16 bytes long.
 Data: < &#234;&#195;&#151;&#246;           > 80 EA C3 97 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000299288E0510, 16 bytes long.
 Data: <@&#233;&#195;&#151;&#246;           > 40 E9 C3 97 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000299288E0010, 16 bytes long.
 Data: <&#248;W&#192;&#151;&#246;           > F8 57 C0 97 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000299288E04C0, 16 bytes long.
 Data: <&#216;W&#192;&#151;&#246;           > D8 57 C0 97 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000299288DFDE0, 16 bytes long.
 Data: <P &#192;&#151;&#246;           > 50 04 C0 97 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000299288DFB10, 16 bytes long.
 Data: <0 &#192;&#151;&#246;           > 30 04 C0 97 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000299288DF9D0, 16 bytes long.
 Data: <&#224; &#192;&#151;&#246;           > E0 02 C0 97 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000299288E0100, 16 bytes long.
 Data: <  &#192;&#151;&#246;           > 10 04 C0 97 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000299288E0470, 16 bytes long.
 Data: <p &#192;&#151;&#246;           > 70 04 C0 97 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000299288DFFC0, 16 bytes long.
 Data: < &#192;&#190;&#151;&#246;           > 18 C0 BE 97 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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