Task 38674584

Name test_108-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND1347_0
Workunit 31616615
Created 26 Oct 2026, 5:44:41 UTC
Sent 26 Oct 2026, 5:44:50 UTC
Report deadline 31 Oct 2026, 5:44:50 UTC
Received 26 Oct 2026, 7:56:55 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 649737
Run time 1 hours 3 min 57 sec
CPU time 1 hours 0 min 59 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 673.04 MB
Peak swap size 3.71 GB
Peak disk usage 3.46 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
19:53:30 (23628): wrapper (7.9.26016): starting
19:53:30 (23628): 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
19:53:32 (23628): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:53:32 (23628): 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\1\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\1\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
20:56:04 (23628): C:/Windows/system32/cmd.exe exited; CPU time 3659.234375
20:56:04 (23628): 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: 61549921 bytes.
Dumping objects ->
{3835297} normal block at 0x000002192F445880, 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 0x000002192F445110, 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 0x000002192F445730, 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 0x000002192D89B150, 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 0x000002192D89B850, 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 0x000002192F35B190, 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 0x000002192F3BD0D0, 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 0x000002192D897380, 8 bytes long.
 Data: <   /    > 00 00 17 2F 19 02 00 00 
{3834578} normal block at 0x000002192F3BD4F0, 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 0x000002192D8964D0, 8 bytes long.
 Data: <@@D/    > 40 40 44 2F 19 02 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000002192D8A0110, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002192D885CC0, 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 0x000002192D8A1650, 16 bytes long.
 Data: <X7&#138;-            > 58 37 8A 2D 19 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002192D8A1150, 16 bytes long.
 Data: <07&#138;-            > 30 37 8A 2D 19 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002192D89CE70, 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 0x000002192D8A1060, 16 bytes long.
 Data: < 7&#138;-            > 08 37 8A 2D 19 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002192D8A1DD0, 16 bytes long.
 Data: <&#224;6&#138;-            > E0 36 8A 2D 19 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002192D8A1790, 16 bytes long.
 Data: <&#184;6&#138;-            > B8 36 8A 2D 19 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002192D8A15B0, 16 bytes long.
 Data: < 6&#138;-            > 90 36 8A 2D 19 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002192D89B230, 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 0x000002192D8A1BA0, 16 bytes long.
 Data: <X\ -            > 58 5C 88 2D 19 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002192D89D290, 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 0x000002192D8A1B00, 16 bytes long.
 Data: <0\ -            > 30 5C 88 2D 19 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002192D8A11F0, 16 bytes long.
 Data: < \ -            > 08 5C 88 2D 19 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002192D8A1560, 16 bytes long.
 Data: <&#224;[ -            > E0 5B 88 2D 19 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002192D8A1FB0, 16 bytes long.
 Data: <&#184;[ -            > B8 5B 88 2D 19 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002192D8A1330, 16 bytes long.
 Data: < [ -            > 90 5B 88 2D 19 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002192D8A1D80, 16 bytes long.
 Data: <h[ -            > 68 5B 88 2D 19 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002192D89CF90, 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 0x000002192D8A16F0, 16 bytes long.
 Data: <@[ -            > 40 5B 88 2D 19 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002192D885B40, 320 bytes long.
 Data: <&#240; &#138;-     &#207;&#137;-    > F0 16 8A 2D 19 02 00 00 90 CF 89 2D 19 02 00 00 
{271} normal block at 0x000002192D8A1920, 16 bytes long.
 Data: <p6&#138;-            > 70 36 8A 2D 19 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002192D8A1F10, 16 bytes long.
 Data: <H6&#138;-            > 48 36 8A 2D 19 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002192D89CDB0, 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 0x000002192D8A18D0, 16 bytes long.
 Data: < 6&#138;-            > 20 36 8A 2D 19 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002192D89CAB0, 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 0x000002192D8A1EC0, 16 bytes long.
 Data: <h5&#138;-            > 68 35 8A 2D 19 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002192D8A1AB0, 16 bytes long.
 Data: <@5&#138;-            > 40 35 8A 2D 19 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002192D8A1100, 16 bytes long.
 Data: < 5&#138;-            > 18 35 8A 2D 19 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002192D8A1510, 16 bytes long.
 Data: <&#240;4&#138;-            > F0 34 8A 2D 19 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002192D8A1B50, 16 bytes long.
 Data: <&#200;4&#138;-            > C8 34 8A 2D 19 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002192D8A1420, 16 bytes long.
 Data: <&#160;4&#138;-            > A0 34 8A 2D 19 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002192D8A1380, 16 bytes long.
 Data: <&#160;&#178;&#137;-            > A0 B2 89 2D 19 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002192D89B2A0, 40 bytes long.
 Data: <  &#138;-     &#177;5/    > 80 13 8A 2D 19 02 00 00 90 B1 35 2F 19 02 00 00 
{257} normal block at 0x000002192D8A12E0, 16 bytes long.
 Data: < 4&#138;-            > 80 34 8A 2D 19 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002192D8A14C0, 16 bytes long.
 Data: <X4&#138;-            > 58 34 8A 2D 19 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002192D89D4D0, 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 0x000002192D8A1290, 16 bytes long.
 Data: <04&#138;-            > 30 34 8A 2D 19 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000002192D8A3430, 992 bytes long.
 Data: <  &#138;-    &#208;&#212;&#137;-    > 90 12 8A 2D 19 02 00 00 D0 D4 89 2D 19 02 00 00 
{89} normal block at 0x000002192D89CD50, 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 0x000002192D8969D0, 16 bytes long.
 Data: < &#183;&#137;-            > 00 B7 89 2D 19 02 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x000002192D89B700, 40 bytes long.
 Data: <&#208;i&#137;-    P&#205;&#137;-    > D0 69 89 2D 19 02 00 00 50 CD 89 2D 19 02 00 00 
{66} normal block at 0x000002192D896AC0, 16 bytes long.
 Data: < &#234;C&#252;&#246;           > 80 EA 43 FC F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002192D8971F0, 16 bytes long.
 Data: <@&#233;C&#252;&#246;           > 40 E9 43 FC F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002192D8971A0, 16 bytes long.
 Data: <&#248;W@&#252;&#246;           > F8 57 40 FC F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002192D896B10, 16 bytes long.
 Data: <&#216;W@&#252;&#246;           > D8 57 40 FC F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002192D896430, 16 bytes long.
 Data: <P @&#252;&#246;           > 50 04 40 FC F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002192D897330, 16 bytes long.
 Data: <0 @&#252;&#246;           > 30 04 40 FC F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002192D896980, 16 bytes long.
 Data: <&#224; @&#252;&#246;           > E0 02 40 FC F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002192D8972E0, 16 bytes long.
 Data: <  @&#252;&#246;           > 10 04 40 FC F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002192D8970B0, 16 bytes long.
 Data: <p @&#252;&#246;           > 70 04 40 FC F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000002192D8968E0, 16 bytes long.
 Data: < &#192;>&#252;&#246;           > 18 C0 3E FC F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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