Task 38650922

Name test_599-GPUGRID_TEST_ATM_4STEP_20261023-3-4-RND9360_0
Workunit 31595385
Created 24 Oct 2026, 0:31:12 UTC
Sent 24 Oct 2026, 1:27:59 UTC
Report deadline 29 Oct 2026, 1:27:59 UTC
Received 24 Oct 2026, 5:18:14 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 611806
Run time 51 min 58 sec
CPU time 47 min 28 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 5,030.17 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 693.98 MB
Peak swap size 5.21 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
23:27:01 (14012): wrapper (7.9.26016): starting
23:27:01 (14012): 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
23:27:02 (14012): Library/usr/bin/tar.exe exited; CPU time 0.015625
23:27:02 (14012): 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\3\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\3\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
00:17:29 (14012): C:/Windows/system32/cmd.exe exited; CPU time 2848.343750
00:17:29 (14012): 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: 50166183 bytes.
Dumping objects ->
{3835229} normal block at 0x0000020F2B77D5A0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835218} normal block at 0x0000020F29A65580, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835207} normal block at 0x0000020F29A654A0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835196} normal block at 0x0000020F29A653C0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835185} normal block at 0x0000020F29A650B0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835154} normal block at 0x0000020F2B7C7EB0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835143} normal block at 0x0000020F2B7DF9D0, 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) : {3835140} normal block at 0x0000020F29A5FC00, 8 bytes long.
 Data: <  &#234;)    > 00 00 EA 29 0F 02 00 00 
{3834541} normal block at 0x0000020F2B7DEE20, 102 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 0x0000020F29A5FBB0, 8 bytes long.
 Data: <&#224;H&#166;)    > E0 48 A6 29 0F 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000020F29A61B80, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000020F29A565C0, 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 0x0000020F29A66570, 16 bytes long.
 Data: <Xn&#166;)            > 58 6E A6 29 0F 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000020F29A65BC0, 16 bytes long.
 Data: <0n&#166;)            > 30 6E A6 29 0F 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000020F29A606F0, 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 0x0000020F29A65F80, 16 bytes long.
 Data: < n&#166;)            > 08 6E A6 29 0F 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000020F29A66AC0, 16 bytes long.
 Data: <&#224;m&#166;)            > E0 6D A6 29 0F 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000020F29A66A70, 16 bytes long.
 Data: <&#184;m&#166;)            > B8 6D A6 29 0F 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020F29A667F0, 16 bytes long.
 Data: < m&#166;)            > 90 6D A6 29 0F 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000020F29A65660, 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 0x0000020F29A66750, 16 bytes long.
 Data: <&#184;&#147;&#165;)            > B8 93 A5 29 0F 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000020F29A608D0, 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 0x0000020F29A666B0, 16 bytes long.
 Data: < &#147;&#165;)            > 90 93 A5 29 0F 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000020F29A66660, 16 bytes long.
 Data: <h&#147;&#165;)            > 68 93 A5 29 0F 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020F29A66520, 16 bytes long.
 Data: <@&#147;&#165;)            > 40 93 A5 29 0F 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020F29A65D00, 16 bytes long.
 Data: < &#147;&#165;)            > 18 93 A5 29 0F 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000020F29A66980, 16 bytes long.
 Data: <&#240;&#146;&#165;)            > F0 92 A5 29 0F 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020F29A66700, 16 bytes long.
 Data: <&#200;&#146;&#165;)            > C8 92 A5 29 0F 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000020F29A60630, 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 0x0000020F29A66890, 16 bytes long.
 Data: <&#160;&#146;&#165;)            > A0 92 A5 29 0F 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000020F29A592A0, 320 bytes long.
 Data: < h&#166;)    0 &#166;)    > 90 68 A6 29 0F 02 00 00 30 06 A6 29 0F 02 00 00 
{277} normal block at 0x0000020F29A65DA0, 16 bytes long.
 Data: <pm&#166;)            > 70 6D A6 29 0F 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020F29A66390, 16 bytes long.
 Data: <Hm&#166;)            > 48 6D A6 29 0F 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000020F29A60150, 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 0x0000020F29A65B70, 16 bytes long.
 Data: < m&#166;)            > 20 6D A6 29 0F 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000020F29A607B0, 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 0x0000020F29A66340, 16 bytes long.
 Data: <hl&#166;)            > 68 6C A6 29 0F 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000020F29A662A0, 16 bytes long.
 Data: <@l&#166;)            > 40 6C A6 29 0F 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000020F29A66930, 16 bytes long.
 Data: < l&#166;)            > 18 6C A6 29 0F 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020F29A664D0, 16 bytes long.
 Data: <&#240;k&#166;)            > F0 6B A6 29 0F 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000020F29A668E0, 16 bytes long.
 Data: <&#200;k&#166;)            > C8 6B A6 29 0F 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020F29A665C0, 16 bytes long.
 Data: <&#160;k&#166;)            > A0 6B A6 29 0F 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000020F29A66250, 16 bytes long.
 Data: < Q&#166;)            > 20 51 A6 29 0F 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020F29A65120, 40 bytes long.
 Data: <Pb&#166;)    &#176;~|+    > 50 62 A6 29 0F 02 00 00 B0 7E 7C 2B 0F 02 00 00 
{263} normal block at 0x0000020F29A66A20, 16 bytes long.
 Data: < k&#166;)            > 80 6B A6 29 0F 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000020F29A65CB0, 16 bytes long.
 Data: <Xk&#166;)            > 58 6B A6 29 0F 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000020F29A600F0, 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 0x0000020F29A662F0, 16 bytes long.
 Data: <0k&#166;)            > 30 6B A6 29 0F 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000020F29A66B30, 992 bytes long.
 Data: <&#240;b&#166;)    &#240; &#166;)    > F0 62 A6 29 0F 02 00 00 F0 00 A6 29 0F 02 00 00 
{95} normal block at 0x0000020F29A60270, 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 0x0000020F29A5F930, 16 bytes long.
 Data: <`&#223;&#164;)            > 60 DF A4 29 0F 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x0000020F29A4DF60, 40 bytes long.
 Data: <0&#249;&#165;)    p &#166;)    > 30 F9 A5 29 0F 02 00 00 70 02 A6 29 0F 02 00 00 
{72} normal block at 0x0000020F29A5F2A0, 16 bytes long.
 Data: < &#234;cX&#247;           > 80 EA 63 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000020F29A5FAC0, 16 bytes long.
 Data: <@&#233;cX&#247;           > 40 E9 63 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000020F29A5F8E0, 16 bytes long.
 Data: <&#248;W`X&#247;           > F8 57 60 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000020F29A5F890, 16 bytes long.
 Data: <&#216;W`X&#247;           > D8 57 60 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000020F29A5FB60, 16 bytes long.
 Data: <P `X&#247;           > 50 04 60 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000020F29A5F5C0, 16 bytes long.
 Data: <0 `X&#247;           > 30 04 60 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000020F29A5F390, 16 bytes long.
 Data: <&#224; `X&#247;           > E0 02 60 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000020F29A5FA70, 16 bytes long.
 Data: <  `X&#247;           > 10 04 60 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000020F29A5F520, 16 bytes long.
 Data: <p `X&#247;           > 70 04 60 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000020F29A5F7F0, 16 bytes long.
 Data: < &#192;^X&#247;           > 18 C0 5E 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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