Task 38689412

Name test_721-GPUGRID_TEST_ATM_40STEP_20261023-38-40-RND5509_0
Workunit 31630668
Created 28 Oct 2026, 20:45:05 UTC
Sent 28 Oct 2026, 20:45:12 UTC
Report deadline 2 Nov 2026, 20:45:12 UTC
Received 28 Oct 2026, 21:09:07 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 625863
Run time 23 min 30 sec
CPU time 22 min 20 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 58,064.43 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 740.91 MB
Peak swap size 13.04 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
22:46:11 (41256): wrapper (7.9.26016): starting
22:46:11 (41256): 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
22:46:12 (41256): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:46:12 (41256): 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\27\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\27\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
23:08:48 (41256): C:/Windows/system32/cmd.exe exited; CPU time 1340.593750
23:08:48 (41256): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 27091315 bytes.
Dumping objects ->
{3835575} normal block at 0x000001D6FDAEA920, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835564} normal block at 0x000001D6FDAEAD80, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835553} normal block at 0x000001D6FDAEA8B0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835542} normal block at 0x000001D6FDAEA840, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835531} normal block at 0x000001D6FDAC50F0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835500} normal block at 0x000001D6FF89ACB0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835489} normal block at 0x000001D6FDB2A600, 140 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) : {3835486} normal block at 0x000001D6FDABB300, 8 bytes long.
 Data: <  &#254;&#253;&#214;   > 00 00 FE FD D6 01 00 00 
{3834707} normal block at 0x000001D6FDB2AFC0, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833975} normal block at 0x000001D6FDABB4E0, 8 bytes long.
 Data: <`I&#172;&#253;&#214;   > 60 49 AC FD D6 01 00 00 
..\zip\boinc_zip.cpp(122) : {319} normal block at 0x000001D6FDAC2200, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x000001D6FDAB63B0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{303} normal block at 0x000001D6FDAC6870, 16 bytes long.
 Data: <Hm&#172;&#253;&#214;           > 48 6D AC FD D6 01 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000001D6FDAC60F0, 16 bytes long.
 Data: < m&#172;&#253;&#214;           > 20 6D AC FD D6 01 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x000001D6FDABF210, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{300} normal block at 0x000001D6FDAC5B50, 16 bytes long.
 Data: <&#248;l&#172;&#253;&#214;           > F8 6C AC FD D6 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001D6FDAC6820, 16 bytes long.
 Data: <&#208;l&#172;&#253;&#214;           > D0 6C AC FD D6 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001D6FDAC6320, 16 bytes long.
 Data: <&#168;l&#172;&#253;&#214;           > A8 6C AC FD D6 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001D6FDAC6690, 16 bytes long.
 Data: < l&#172;&#253;&#214;           > 80 6C AC FD D6 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001D6FDAC4FA0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{295} normal block at 0x000001D6FDAC5B00, 16 bytes long.
 Data: <&#200;&#244;&#170;&#253;&#214;           > C8 F4 AA FD D6 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001D6FDABE850, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{293} normal block at 0x000001D6FDAC6370, 16 bytes long.
 Data: <&#160;&#244;&#170;&#253;&#214;           > A0 F4 AA FD D6 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001D6FDAC6460, 16 bytes long.
 Data: <x&#244;&#170;&#253;&#214;           > 78 F4 AA FD D6 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001D6FDAC6730, 16 bytes long.
 Data: <P&#244;&#170;&#253;&#214;           > 50 F4 AA FD D6 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001D6FDAC6640, 16 bytes long.
 Data: <(&#244;&#170;&#253;&#214;           > 28 F4 AA FD D6 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001D6FDAC65A0, 16 bytes long.
 Data: < &#244;&#170;&#253;&#214;           > 00 F4 AA FD D6 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001D6FDAC6780, 16 bytes long.
 Data: <&#216;&#243;&#170;&#253;&#214;           > D8 F3 AA FD D6 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001D6FDABF1B0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{285} normal block at 0x000001D6FDAC66E0, 16 bytes long.
 Data: <&#176;&#243;&#170;&#253;&#214;           > B0 F3 AA FD D6 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001D6FDAAF3B0, 320 bytes long.
 Data: <&#224;f&#172;&#253;&#214;   &#176;&#241;&#171;&#253;&#214;   > E0 66 AC FD D6 01 00 00 B0 F1 AB FD D6 01 00 00 
{283} normal block at 0x000001D6FDAC5AB0, 16 bytes long.
 Data: <`l&#172;&#253;&#214;           > 60 6C AC FD D6 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001D6FDAC6230, 16 bytes long.
 Data: <8l&#172;&#253;&#214;           > 38 6C AC FD D6 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001D6FDABEC70, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{280} normal block at 0x000001D6FDAC6550, 16 bytes long.
 Data: < l&#172;&#253;&#214;           > 10 6C AC FD D6 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001D6FDABEDF0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{278} normal block at 0x000001D6FDAC61E0, 16 bytes long.
 Data: <Xk&#172;&#253;&#214;           > 58 6B AC FD D6 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001D6FDAC6500, 16 bytes long.
 Data: <0k&#172;&#253;&#214;           > 30 6B AC FD D6 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001D6FDAC69B0, 16 bytes long.
 Data: < k&#172;&#253;&#214;           > 08 6B AC FD D6 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001D6FDAC6960, 16 bytes long.
 Data: <&#224;j&#172;&#253;&#214;           > E0 6A AC FD D6 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001D6FDAC5C40, 16 bytes long.
 Data: <&#184;j&#172;&#253;&#214;           > B8 6A AC FD D6 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001D6FDAC62D0, 16 bytes long.
 Data: < j&#172;&#253;&#214;           > 90 6A AC FD D6 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001D6FDAC63C0, 16 bytes long.
 Data: <`Q&#172;&#253;&#214;           > 60 51 AC FD D6 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001D6FDAC5160, 40 bytes long.
 Data: <&#192;c&#172;&#253;&#214;   &#176;&#172;&#137;&#255;&#214;   > C0 63 AC FD D6 01 00 00 B0 AC 89 FF D6 01 00 00 
{269} normal block at 0x000001D6FDAC5EC0, 16 bytes long.
 Data: <pj&#172;&#253;&#214;           > 70 6A AC FD D6 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001D6FDAC65F0, 16 bytes long.
 Data: <Hj&#172;&#253;&#214;           > 48 6A AC FD D6 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001D6FDABE8B0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{266} normal block at 0x000001D6FDAC64B0, 16 bytes long.
 Data: < j&#172;&#253;&#214;           > 20 6A AC FD D6 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001D6FDAC6A20, 992 bytes long.
 Data: <&#176;d&#172;&#253;&#214;   &#176;&#232;&#171;&#253;&#214;   > B0 64 AC FD D6 01 00 00 B0 E8 AB FD D6 01 00 00 
{101} normal block at 0x000001D6FDABF0F0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{100} normal block at 0x000001D6FDABAA90, 16 bytes long.
 Data: < S&#172;&#253;&#214;           > 90 53 AC FD D6 01 00 00 00 00 00 00 00 00 00 00 
{99} normal block at 0x000001D6FDAC5390, 40 bytes long.
 Data: < &#170;&#171;&#253;&#214;   &#240;&#240;&#171;&#253;&#214;   > 90 AA AB FD D6 01 00 00 F0 F0 AB FD D6 01 00 00 
{78} normal block at 0x000001D6FDABA900, 16 bytes long.
 Data: < &#234;  &#247;           > 80 EA 13 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x000001D6FDABACC0, 16 bytes long.
 Data: <@&#233;  &#247;           > 40 E9 13 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x000001D6FDABA8B0, 16 bytes long.
 Data: <&#248;W  &#247;           > F8 57 10 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000001D6FDABA770, 16 bytes long.
 Data: <&#216;W  &#247;           > D8 57 10 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000001D6FDABB1C0, 16 bytes long.
 Data: <P   &#247;           > 50 04 10 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001D6FDABA9A0, 16 bytes long.
 Data: <0   &#247;           > 30 04 10 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001D6FDABB440, 16 bytes long.
 Data: <&#224;   &#247;           > E0 02 10 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001D6FDABAA40, 16 bytes long.
 Data: <    &#247;           > 10 04 10 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001D6FDABAE00, 16 bytes long.
 Data: <p   &#247;           > 70 04 10 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001D6FDABB030, 16 bytes long.
 Data: < &#192;  &#247;           > 18 C0 0E 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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