Task 38650271

Name test_381-GPUGRID_TEST_ATM_4STEP_20261023-2-4-RND0010_1
Workunit 31594636
Created 23 Oct 2026, 23:07:25 UTC
Sent 23 Oct 2026, 23:31:05 UTC
Report deadline 28 Oct 2026, 23:31:05 UTC
Received 24 Oct 2026, 0:31:14 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654804
Run time 19 min 18 sec
CPU time 18 min 9 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 31,599.15 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 716.82 MB
Peak swap size 6.97 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
20:11:32 (26240): wrapper (7.9.26016): starting
20:11:32 (26240): 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
20:11:33 (26240): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:11:33 (26240): 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\0\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\0\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
20:30:50 (26240): C:/Windows/system32/cmd.exe exited; CPU time 1089.890625
20:30:50 (26240): 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: 22055401 bytes.
Dumping objects ->
{3835256} normal block at 0x000001E50FA058C0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835245} normal block at 0x000001E50FA055B0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835234} normal block at 0x000001E50FA05460, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835223} normal block at 0x000001E50FA053F0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835212} normal block at 0x000001E50FA05FC0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835181} normal block at 0x000001E50F9F80C0, 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) : {3835168} normal block at 0x000001E50F9FDE30, 8 bytes long.
 Data: <  &#230; &#229;   > 00 00 E6 0F E5 01 00 00 
{3833967} normal block at 0x000001E50F9FDB60, 8 bytes long.
 Data: <&#208;&#233;&#169; &#229;   > D0 E9 A9 0F E5 01 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000001E50F9F4E80, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001E50FA03A70, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x000001E50FA06A00, 16 bytes long.
 Data: <&#216;s&#160; &#229;           > D8 73 A0 0F E5 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001E50FA065F0, 16 bytes long.
 Data: <&#176;s&#160; &#229;           > B0 73 A0 0F E5 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001E50F9CE070, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x000001E50FA06F00, 16 bytes long.
 Data: < s&#160; &#229;           > 88 73 A0 0F E5 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001E50FA065A0, 16 bytes long.
 Data: <`s&#160; &#229;           > 60 73 A0 0F E5 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001E50FA069B0, 16 bytes long.
 Data: <8s&#160; &#229;           > 38 73 A0 0F E5 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001E50FA06960, 16 bytes long.
 Data: < s&#160; &#229;           > 10 73 A0 0F E5 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001E50FA050E0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x000001E50FA06870, 16 bytes long.
 Data: < &#251;&#159; &#229;           > 98 FB 9F 0F E5 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001E50F9CE250, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x000001E50FA06500, 16 bytes long.
 Data: <p&#251;&#159; &#229;           > 70 FB 9F 0F E5 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001E50FA06F50, 16 bytes long.
 Data: <H&#251;&#159; &#229;           > 48 FB 9F 0F E5 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001E50FA06280, 16 bytes long.
 Data: < &#251;&#159; &#229;           > 20 FB 9F 0F E5 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001E50FA07040, 16 bytes long.
 Data: <&#248;&#250;&#159; &#229;           > F8 FA 9F 0F E5 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001E50FA06230, 16 bytes long.
 Data: <&#208;&#250;&#159; &#229;           > D0 FA 9F 0F E5 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001E50FA06CD0, 16 bytes long.
 Data: <&#168;&#250;&#159; &#229;           > A8 FA 9F 0F E5 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001E50F9CE010, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x000001E50FA06550, 16 bytes long.
 Data: < &#250;&#159; &#229;           > 80 FA 9F 0F E5 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001E50F9FFA80, 320 bytes long.
 Data: <Pe&#160; &#229;    &#224;&#156; &#229;   > 50 65 A0 0F E5 01 00 00 10 E0 9C 0F E5 01 00 00 
{279} normal block at 0x000001E50FA06910, 16 bytes long.
 Data: <&#240;r&#160; &#229;           > F0 72 A0 0F E5 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001E50FA068C0, 16 bytes long.
 Data: <&#200;r&#160; &#229;           > C8 72 A0 0F E5 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001E50F9CDA70, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x000001E50FA06320, 16 bytes long.
 Data: <&#160;r&#160; &#229;           > A0 72 A0 0F E5 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001E50F9CE1F0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x000001E50FA06820, 16 bytes long.
 Data: <&#232;q&#160; &#229;           > E8 71 A0 0F E5 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001E50FA06C30, 16 bytes long.
 Data: <&#192;q&#160; &#229;           > C0 71 A0 0F E5 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001E50FA06E60, 16 bytes long.
 Data: < q&#160; &#229;           > 98 71 A0 0F E5 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001E50FA067D0, 16 bytes long.
 Data: <pq&#160; &#229;           > 70 71 A0 0F E5 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001E50FA06FF0, 16 bytes long.
 Data: <Hq&#160; &#229;           > 48 71 A0 0F E5 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001E50FA06C80, 16 bytes long.
 Data: < q&#160; &#229;           > 20 71 A0 0F E5 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001E50FA060F0, 16 bytes long.
 Data: <p^&#160; &#229;           > 70 5E A0 0F E5 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001E50FA05E70, 40 bytes long.
 Data: <&#240;`&#160; &#229;   &#192; &#159; &#229;   > F0 60 A0 0F E5 01 00 00 C0 80 9F 0F E5 01 00 00 
{265} normal block at 0x000001E50FA06BE0, 16 bytes long.
 Data: < q&#160; &#229;           > 00 71 A0 0F E5 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001E50FA06B90, 16 bytes long.
 Data: <&#216;p&#160; &#229;           > D8 70 A0 0F E5 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001E50F9CD530, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x000001E50FA06190, 16 bytes long.
 Data: <&#176;p&#160; &#229;           > B0 70 A0 0F E5 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001E50FA070B0, 992 bytes long.
 Data: < a&#160; &#229;   0&#213;&#156; &#229;   > 90 61 A0 0F E5 01 00 00 30 D5 9C 0F E5 01 00 00 
{97} normal block at 0x000001E50F9CE3D0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x000001E50F9FDB10, 16 bytes long.
 Data: <&#176;\&#160; &#229;           > B0 5C A0 0F E5 01 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x000001E50FA05CB0, 40 bytes long.
 Data: < &#219;&#159; &#229;   &#208;&#227;&#156; &#229;   > 10 DB 9F 0F E5 01 00 00 D0 E3 9C 0F E5 01 00 00 
{74} normal block at 0x000001E50F9FE740, 16 bytes long.
 Data: < &#234;&#146;>&#247;           > 80 EA 92 3E F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001E50F9FE7E0, 16 bytes long.
 Data: <@&#233;&#146;>&#247;           > 40 E9 92 3E F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001E50F9FDCF0, 16 bytes long.
 Data: <&#248;W >&#247;           > F8 57 8F 3E F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001E50F9FDA20, 16 bytes long.
 Data: <&#216;W >&#247;           > D8 57 8F 3E F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001E50F9FE100, 16 bytes long.
 Data: <P  >&#247;           > 50 04 8F 3E F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001E50F9FE4C0, 16 bytes long.
 Data: <0  >&#247;           > 30 04 8F 3E F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001E50F9FE0B0, 16 bytes long.
 Data: <&#224;  >&#247;           > E0 02 8F 3E F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001E50F9FDF20, 16 bytes long.
 Data: <   >&#247;           > 10 04 8F 3E F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001E50F9FE6A0, 16 bytes long.
 Data: <p  >&#247;           > 70 04 8F 3E F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001E50F9FE010, 16 bytes long.
 Data: < &#192; >&#247;           > 18 C0 8D 3E F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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