Task 38670815

Name test_372-GPUGRID_TEST_ATM_40STEP_20261023-12-40-RND5678_0
Workunit 31613042
Created 25 Oct 2026, 18:39:15 UTC
Sent 25 Oct 2026, 18:39:21 UTC
Report deadline 30 Oct 2026, 18:39:21 UTC
Received 25 Oct 2026, 19:04:03 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 559888
Run time 24 min 3 sec
CPU time 20 min 45 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 753.63 MB
Peak swap size 13.25 GB
Peak disk usage 3.27 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:41:22 (13388): wrapper (7.9.26016): starting
18:41:22 (13388): 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
18:41:24 (13388): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:41:24 (13388): 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\36\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\36\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
19:03:42 (13388): C:/Windows/system32/cmd.exe exited; CPU time 1245.062500
19:03:42 (13388): 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: 33155408 bytes.
Dumping objects ->
{3835279} normal block at 0x000002741F1D4670, 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 0x0000027420ED1570, 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 0x0000027420ED0BB0, 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 0x0000027420ED1390, 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 0x0000027420ED0E50, 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 0x000002741F1D4590, 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 0x0000027420E9BFC0, 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 0x000002741F1CEF70, 8 bytes long.
 Data: <    t   > 00 00 18 1F 74 02 00 00 
{3834567} normal block at 0x0000027420E9CB00, 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 0x000002741F1CEBB0, 8 bytes long.
 Data: < &#158;  t   > 10 9E 1F 1F 74 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000002741F1D0950, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002741F1BE5F0, 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 0x000002741F1D57A0, 16 bytes long.
 Data: <&#168;c  t           > A8 63 1D 1F 74 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002741F1D5750, 16 bytes long.
 Data: < c  t           > 80 63 1D 1F 74 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002741F1D03C0, 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 0x000002741F1D5340, 16 bytes long.
 Data: <Xc  t           > 58 63 1D 1F 74 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002741F1D54D0, 16 bytes long.
 Data: <0c  t           > 30 63 1D 1F 74 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002741F1D5AC0, 16 bytes long.
 Data: < c  t           > 08 63 1D 1F 74 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002741F1D56B0, 16 bytes long.
 Data: <&#224;b  t           > E0 62 1D 1F 74 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002741F1D48A0, 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 0x000002741F1D5A70, 16 bytes long.
 Data: <&#168;   t           > A8 8D 1C 1F 74 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002741F1D0360, 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 0x000002741F1D5250, 16 bytes long.
 Data: <    t           > 80 8D 1C 1F 74 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002741F1D5610, 16 bytes long.
 Data: <X   t           > 58 8D 1C 1F 74 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002741F1D52A0, 16 bytes long.
 Data: <0   t           > 30 8D 1C 1F 74 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002741F1D5110, 16 bytes long.
 Data: <    t           > 08 8D 1C 1F 74 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002741F1D59D0, 16 bytes long.
 Data: <&#224;&#140;  t           > E0 8C 1C 1F 74 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002741F1D5980, 16 bytes long.
 Data: <&#184;&#140;  t           > B8 8C 1C 1F 74 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002741F1CF7C0, 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 0x000002741F1D5ED0, 16 bytes long.
 Data: < &#140;  t           > 90 8C 1C 1F 74 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002741F1C8C90, 320 bytes long.
 Data: <&#208;^  t   &#192;&#247;  t   > D0 5E 1D 1F 74 02 00 00 C0 F7 1C 1F 74 02 00 00 
{276} normal block at 0x000002741F1D5480, 16 bytes long.
 Data: <&#192;b  t           > C0 62 1D 1F 74 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002741F1D55C0, 16 bytes long.
 Data: < b  t           > 98 62 1D 1F 74 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002741F1CF5E0, 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 0x000002741F1D5890, 16 bytes long.
 Data: <pb  t           > 70 62 1D 1F 74 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002741F1D0300, 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 0x000002741F1D5430, 16 bytes long.
 Data: <&#184;a  t           > B8 61 1D 1F 74 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002741F1D5660, 16 bytes long.
 Data: < a  t           > 90 61 1D 1F 74 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002741F1D5930, 16 bytes long.
 Data: <ha  t           > 68 61 1D 1F 74 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002741F1D5CA0, 16 bytes long.
 Data: <@a  t           > 40 61 1D 1F 74 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002741F1D5E80, 16 bytes long.
 Data: < a  t           > 18 61 1D 1F 74 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002741F1D5C50, 16 bytes long.
 Data: <&#240;`  t           > F0 60 1D 1F 74 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002741F1D5E30, 16 bytes long.
 Data: < I  t           > 80 49 1D 1F 74 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002741F1D4980, 40 bytes long.
 Data: <0^  t    E  t   > 30 5E 1D 1F 74 02 00 00 90 45 1D 1F 74 02 00 00 
{262} normal block at 0x000002741F1D5840, 16 bytes long.
 Data: <&#208;`  t           > D0 60 1D 1F 74 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002741F1D5570, 16 bytes long.
 Data: <&#168;`  t           > A8 60 1D 1F 74 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002741F1CFE20, 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 0x000002741F1D5C00, 16 bytes long.
 Data: < `  t           > 80 60 1D 1F 74 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002741F1D6080, 992 bytes long.
 Data: < \  t    &#254;  t   > 00 5C 1D 1F 74 02 00 00 20 FE 1C 1F 74 02 00 00 
{94} normal block at 0x000002741F1D01E0, 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 0x000002741F1CEA70, 16 bytes long.
 Data: <P&#212;  t           > 50 D4 1B 1F 74 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000002741F1BD450, 40 bytes long.
 Data: <p&#234;  t   &#224;   t   > 70 EA 1C 1F 74 02 00 00 E0 01 1D 1F 74 02 00 00 
{71} normal block at 0x000002741F1CEE80, 16 bytes long.
 Data: < &#234;&#215;>&#246;           > 80 EA D7 3E F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002741F1CEB60, 16 bytes long.
 Data: <@&#233;&#215;>&#246;           > 40 E9 D7 3E F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002741F1CEDE0, 16 bytes long.
 Data: <&#248;W&#212;>&#246;           > F8 57 D4 3E F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002741F1CEE30, 16 bytes long.
 Data: <&#216;W&#212;>&#246;           > D8 57 D4 3E F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002741F1CF150, 16 bytes long.
 Data: <P &#212;>&#246;           > 50 04 D4 3E F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002741F1CE700, 16 bytes long.
 Data: <0 &#212;>&#246;           > 30 04 D4 3E F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002741F1CE890, 16 bytes long.
 Data: <&#224; &#212;>&#246;           > E0 02 D4 3E F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002741F1CEB10, 16 bytes long.
 Data: <  &#212;>&#246;           > 10 04 D4 3E F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002741F1CE750, 16 bytes long.
 Data: <p &#212;>&#246;           > 70 04 D4 3E F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002741F1CE610, 16 bytes long.
 Data: < &#192;&#210;>&#246;           > 18 C0 D2 3E F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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