Task 38695465

Name test_471-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND9150_0
Workunit 31636169
Created 31 Oct 2026, 10:58:43 UTC
Sent 31 Oct 2026, 10:58:48 UTC
Report deadline 5 Nov 2026, 10:58:48 UTC
Received 1 Nov 2026, 4:41:50 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 647447
Run time 37 min 34 sec
CPU time 37 min 6 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 6,742.81 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 688.22 MB
Peak swap size 5.22 GB
Peak disk usage 3.40 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
00:02:03 (88200): wrapper (7.9.26016): starting
00:02:03 (88200): 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
00:02:04 (88200): Library/usr/bin/tar.exe exited; CPU time 0.015625
00:02:04 (88200): 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\10\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\10\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
00:40:38 (88200): C:/Windows/system32/cmd.exe exited; CPU time 2226.578125
00:40:38 (88200): 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: 42197679 bytes.
Dumping objects ->
{3835213} normal block at 0x0000016528E57820, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835202} normal block at 0x0000016528E57190, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835191} normal block at 0x0000016528E57120, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835180} normal block at 0x0000016528E57C80, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835169} normal block at 0x0000016528E577B0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835138} normal block at 0x000001652A9C3420, 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) : {3835125} normal block at 0x0000016528E28F70, 8 bytes long.
 Data: <  r*e   > 00 00 72 2A 65 01 00 00 
{3833955} normal block at 0x0000016528E296F0, 8 bytes long.
 Data: < &#234;&#240;(e   > 20 EA F0 28 65 01 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x0000016528E32CB0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000016528E1B7D0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x0000016528E349C0, 16 bytes long.
 Data: <&#232;N&#227;(e           > E8 4E E3 28 65 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000016528E348D0, 16 bytes long.
 Data: <&#192;N&#227;(e           > C0 4E E3 28 65 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000016528E2DE70, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x0000016528E340B0, 16 bytes long.
 Data: < N&#227;(e           > 98 4E E3 28 65 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000016528E34880, 16 bytes long.
 Data: <pN&#227;(e           > 70 4E E3 28 65 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000016528E34AB0, 16 bytes long.
 Data: <HN&#227;(e           > 48 4E E3 28 65 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000016528E34380, 16 bytes long.
 Data: < N&#227;(e           > 20 4E E3 28 65 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000016528E2FF40, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x0000016528E346F0, 16 bytes long.
 Data: <X&#217;&#225;(e           > 58 D9 E1 28 65 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000016528E2DDB0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x0000016528E34060, 16 bytes long.
 Data: <0&#217;&#225;(e           > 30 D9 E1 28 65 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000016528E33ED0, 16 bytes long.
 Data: < &#217;&#225;(e           > 08 D9 E1 28 65 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000016528E347E0, 16 bytes long.
 Data: <&#224;&#216;&#225;(e           > E0 D8 E1 28 65 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000016528E34010, 16 bytes long.
 Data: <&#184;&#216;&#225;(e           > B8 D8 E1 28 65 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000016528E33C50, 16 bytes long.
 Data: < &#216;&#225;(e           > 90 D8 E1 28 65 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000016528E33E30, 16 bytes long.
 Data: <h&#216;&#225;(e           > 68 D8 E1 28 65 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000016528E2DD50, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x0000016528E33DE0, 16 bytes long.
 Data: <@&#216;&#225;(e           > 40 D8 E1 28 65 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000016528E1D840, 320 bytes long.
 Data: <&#224;=&#227;(e   P&#221;&#226;(e   > E0 3D E3 28 65 01 00 00 50 DD E2 28 65 01 00 00 
{273} normal block at 0x0000016528E34600, 16 bytes long.
 Data: < N&#227;(e           > 00 4E E3 28 65 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000016528E34B00, 16 bytes long.
 Data: <&#216;M&#227;(e           > D8 4D E3 28 65 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000016528E2DC90, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x0000016528E34B50, 16 bytes long.
 Data: <&#176;M&#227;(e           > B0 4D E3 28 65 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000016528E2DC30, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x0000016528E34830, 16 bytes long.
 Data: <&#248;L&#227;(e           > F8 4C E3 28 65 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000016528E33FC0, 16 bytes long.
 Data: <&#208;L&#227;(e           > D0 4C E3 28 65 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000016528E345B0, 16 bytes long.
 Data: <&#168;L&#227;(e           > A8 4C E3 28 65 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000016528E33C00, 16 bytes long.
 Data: < L&#227;(e           > 80 4C E3 28 65 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000016528E34920, 16 bytes long.
 Data: <XL&#227;(e           > 58 4C E3 28 65 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000016528E34650, 16 bytes long.
 Data: <0L&#227;(e           > 30 4C E3 28 65 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000016528E346A0, 16 bytes long.
 Data: <0&#252;&#226;(e           > 30 FC E2 28 65 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000016528E2FC30, 40 bytes long.
 Data: <&#160;F&#227;(e    4&#156;*e   > A0 46 E3 28 65 01 00 00 20 34 9C 2A 65 01 00 00 
{259} normal block at 0x0000016528E34150, 16 bytes long.
 Data: < L&#227;(e           > 10 4C E3 28 65 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000016528E34560, 16 bytes long.
 Data: <&#232;K&#227;(e           > E8 4B E3 28 65 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000016528E2DBD0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x0000016528E33CA0, 16 bytes long.
 Data: <&#192;K&#227;(e           > C0 4B E3 28 65 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000016528E34BC0, 992 bytes long.
 Data: <&#160;<&#227;(e   &#208;&#219;&#226;(e   > A0 3C E3 28 65 01 00 00 D0 DB E2 28 65 01 00 00 
{91} normal block at 0x0000016528E2E530, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x0000016528E29100, 16 bytes long.
 Data: <  &#227;(e           > 20 00 E3 28 65 01 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x0000016528E30020, 40 bytes long.
 Data: < &#145;&#226;(e   0&#229;&#226;(e   > 00 91 E2 28 65 01 00 00 30 E5 E2 28 65 01 00 00 
{68} normal block at 0x0000016528E292E0, 16 bytes long.
 Data: < &#234;q6&#247;           > 80 EA 71 36 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000016528E28DE0, 16 bytes long.
 Data: <@&#233;q6&#247;           > 40 E9 71 36 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000016528E28FC0, 16 bytes long.
 Data: <&#248;Wn6&#247;           > F8 57 6E 36 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000016528E29560, 16 bytes long.
 Data: <&#216;Wn6&#247;           > D8 57 6E 36 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000016528E296A0, 16 bytes long.
 Data: <P n6&#247;           > 50 04 6E 36 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000016528E28980, 16 bytes long.
 Data: <0 n6&#247;           > 30 04 6E 36 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000016528E289D0, 16 bytes long.
 Data: <&#224; n6&#247;           > E0 02 6E 36 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000016528E291F0, 16 bytes long.
 Data: <  n6&#247;           > 10 04 6E 36 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000016528E28F20, 16 bytes long.
 Data: <p n6&#247;           > 70 04 6E 36 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000016528E298D0, 16 bytes long.
 Data: < &#192;l6&#247;           > 18 C0 6C 36 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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