Task 38648926

Name test_38-GPUGRID_TEST_ATM_4STEP_20261023-1-4-RND0148_0
Workunit 31593605
Created 23 Oct 2026, 20:55:36 UTC
Sent 23 Oct 2026, 21:46:32 UTC
Report deadline 28 Oct 2026, 21:46:32 UTC
Received 24 Oct 2026, 0:36:44 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 611806
Run time 50 min 43 sec
CPU time 47 min 59 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 684.99 MB
Peak swap size 5.20 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:46:47 (3344): wrapper (7.9.26016): starting
18:46:47 (3344): 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
18:46:48 (3344): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:46:48 (3344): 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\2\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\2\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
19:36:15 (3344): C:/Windows/system32/cmd.exe exited; CPU time 2879.359375
19:36:15 (3344): 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: 51303757 bytes.
Dumping objects ->
{3835229} normal block at 0x000001D1BCCCBB60, 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 0x000001D1BCCA6730, 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 0x000001D1BCCA66C0, 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 0x000001D1BCCA6570, 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 0x000001D1BCCA6650, 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 0x000001D1BE949A60, 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 0x000001D1BE95FBF0, 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 0x000001D1BCC9F110, 8 bytes long.
 Data: <   &#189;&#209;   > 00 00 0E BD D1 01 00 00 
{3834541} normal block at 0x000001D1BE960900, 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 0x000001D1BCC9E3F0, 8 bytes long.
 Data: < Z&#154;&#190;&#209;   > 20 5A 9A BE D1 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001D1BCCA2D30, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001D1BCC97C00, 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 0x000001D1BCCA7500, 16 bytes long.
 Data: < |&#202;&#188;&#209;           > 08 7C CA BC D1 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001D1BCCA6D80, 16 bytes long.
 Data: <&#224;{&#202;&#188;&#209;           > E0 7B CA BC D1 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001D1BCCA0B00, 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 0x000001D1BCCA6B00, 16 bytes long.
 Data: <&#184;{&#202;&#188;&#209;           > B8 7B CA BC D1 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001D1BCCA7370, 16 bytes long.
 Data: < {&#202;&#188;&#209;           > 90 7B CA BC D1 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001D1BCCA7190, 16 bytes long.
 Data: <h{&#202;&#188;&#209;           > 68 7B CA BC D1 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001D1BCCA6C40, 16 bytes long.
 Data: <@{&#202;&#188;&#209;           > 40 7B CA BC D1 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001D1BCCA67A0, 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 0x000001D1BCCA6BF0, 16 bytes long.
 Data: <&#232;&#183;&#200;&#188;&#209;           > E8 B7 C8 BC D1 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001D1BCCA0DA0, 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 0x000001D1BCCA6B50, 16 bytes long.
 Data: <&#192;&#183;&#200;&#188;&#209;           > C0 B7 C8 BC D1 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001D1BCCA6E20, 16 bytes long.
 Data: < &#183;&#200;&#188;&#209;           > 98 B7 C8 BC D1 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001D1BCCA6970, 16 bytes long.
 Data: <p&#183;&#200;&#188;&#209;           > 70 B7 C8 BC D1 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001D1BCCA73C0, 16 bytes long.
 Data: <H&#183;&#200;&#188;&#209;           > 48 B7 C8 BC D1 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001D1BCCA72D0, 16 bytes long.
 Data: < &#183;&#200;&#188;&#209;           > 20 B7 C8 BC D1 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001D1BCCA7320, 16 bytes long.
 Data: <&#248;&#182;&#200;&#188;&#209;           > F8 B6 C8 BC D1 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001D1BCCA06E0, 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 0x000001D1BCCA7690, 16 bytes long.
 Data: <&#208;&#182;&#200;&#188;&#209;           > D0 B6 C8 BC D1 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001D1BCC8B6D0, 320 bytes long.
 Data: < v&#202;&#188;&#209;   &#224; &#202;&#188;&#209;   > 90 76 CA BC D1 01 00 00 E0 06 CA BC D1 01 00 00 
{277} normal block at 0x000001D1BCCA6D30, 16 bytes long.
 Data: < {&#202;&#188;&#209;           > 20 7B CA BC D1 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001D1BCCA6F10, 16 bytes long.
 Data: <&#248;z&#202;&#188;&#209;           > F8 7A CA BC D1 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001D1BCCA0980, 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 0x000001D1BCCA7140, 16 bytes long.
 Data: <&#208;z&#202;&#188;&#209;           > D0 7A CA BC D1 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001D1BCCA0F20, 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 0x000001D1BCCA6CE0, 16 bytes long.
 Data: < z&#202;&#188;&#209;           > 18 7A CA BC D1 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001D1BCCA7000, 16 bytes long.
 Data: <&#240;y&#202;&#188;&#209;           > F0 79 CA BC D1 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001D1BCCA6920, 16 bytes long.
 Data: <&#200;y&#202;&#188;&#209;           > C8 79 CA BC D1 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001D1BCCA7280, 16 bytes long.
 Data: <&#160;y&#202;&#188;&#209;           > A0 79 CA BC D1 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001D1BCCA77D0, 16 bytes long.
 Data: <xy&#202;&#188;&#209;           > 78 79 CA BC D1 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001D1BCCA7640, 16 bytes long.
 Data: <Py&#202;&#188;&#209;           > 50 79 CA BC D1 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001D1BCCA6C90, 16 bytes long.
 Data: <&#208;b&#202;&#188;&#209;           > D0 62 CA BC D1 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001D1BCCA62D0, 40 bytes long.
 Data: < l&#202;&#188;&#209;   `&#154;&#148;&#190;&#209;   > 90 6C CA BC D1 01 00 00 60 9A 94 BE D1 01 00 00 
{263} normal block at 0x000001D1BCCA7780, 16 bytes long.
 Data: <0y&#202;&#188;&#209;           > 30 79 CA BC D1 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001D1BCCA75F0, 16 bytes long.
 Data: < y&#202;&#188;&#209;           > 08 79 CA BC D1 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001D1BCCA0560, 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 0x000001D1BCCA7230, 16 bytes long.
 Data: <&#224;x&#202;&#188;&#209;           > E0 78 CA BC D1 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001D1BCCA78E0, 992 bytes long.
 Data: <0r&#202;&#188;&#209;   ` &#202;&#188;&#209;   > 30 72 CA BC D1 01 00 00 60 05 CA BC D1 01 00 00 
{95} normal block at 0x000001D1BCCA0320, 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 0x000001D1BCC9E3A0, 16 bytes long.
 Data: <`&#223;&#200;&#188;&#209;           > 60 DF C8 BC D1 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000001D1BCC8DF60, 40 bytes long.
 Data: <&#160;&#227;&#201;&#188;&#209;     &#202;&#188;&#209;   > A0 E3 C9 BC D1 01 00 00 20 03 CA BC D1 01 00 00 
{72} normal block at 0x000001D1BCC9EAD0, 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 0x000001D1BCC9EB20, 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 0x000001D1BCC9F070, 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 0x000001D1BCC9F0C0, 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 0x000001D1BCC9EDF0, 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 0x000001D1BCC9E7B0, 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 0x000001D1BCC9EBC0, 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 0x000001D1BCC9ECB0, 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 0x000001D1BCC9E8F0, 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 0x000001D1BCC9EF30, 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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