Task 38648228

Name test_64-GPUGRID_TEST_ATM_40STEP_20261023-0-40-RND2835_0
Workunit 31592937
Created 23 Oct 2026, 20:34:49 UTC
Sent 23 Oct 2026, 22:57:15 UTC
Report deadline 28 Oct 2026, 22:57:15 UTC
Received 23 Oct 2026, 23:59:01 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 653145
Run time 25 min 44 sec
CPU time 25 min 2 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 10,909.22 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 726.93 MB
Peak swap size 6.86 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
02:33:31 (17224): wrapper (7.9.26016): starting
02:33:31 (17224): 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
02:33:32 (17224): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:33:32 (17224): 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
02:58:38 (17224): C:/Windows/system32/cmd.exe exited; CPU time 1502.843750
02:58:38 (17224): called boinc_finish(0)
0 bytes in 0 Free Blocks.
566 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: 20200427 bytes.
Dumping objects ->
{3835550} normal block at 0x000001ADB561C8F0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835539} normal block at 0x000001ADB39B4520, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835528} normal block at 0x000001ADB39B44B0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835517} normal block at 0x000001ADB39B4440, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835506} normal block at 0x000001ADB39B40C0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835475} normal block at 0x000001ADB5664F40, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835464} normal block at 0x000001ADB5590F10, 155 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) : {3835461} normal block at 0x000001ADB39AEEE0, 8 bytes long.
 Data: <  x&#181;&#173;   > 00 00 78 B5 AD 01 00 00 
{3834689} normal block at 0x000001ADB5590E30, 155 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x000001ADB39AEA30, 8 bytes long.
 Data: <&#144;4l&#181;&#173;   > 90 34 6C B5 AD 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001ADB39B07D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001ADB399EB90, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x000001ADB39B5210, 16 bytes long.
 Data: <(b&#155;&#179;&#173;           > 28 62 9B B3 AD 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001ADB39B51C0, 16 bytes long.
 Data: < b&#155;&#179;&#173;           > 00 62 9B B3 AD 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001ADB39AF220, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x000001ADB39B55D0, 16 bytes long.
 Data: <&#216;a&#155;&#179;&#173;           > D8 61 9B B3 AD 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001ADB39B59E0, 16 bytes long.
 Data: <&#176;a&#155;&#179;&#173;           > B0 61 9B B3 AD 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001ADB39B5C10, 16 bytes long.
 Data: < a&#155;&#179;&#173;           > 88 61 9B B3 AD 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001ADB39B4F40, 16 bytes long.
 Data: <`a&#155;&#179;&#173;           > 60 61 9B B3 AD 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001ADB39B4590, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x000001ADB39B5170, 16 bytes long.
 Data: <&#168;&#179; &#179;&#173;           > A8 B3 99 B3 AD 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001ADB39AFD60, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x000001ADB39B5580, 16 bytes long.
 Data: <&#128;&#179; &#179;&#173;           > 80 B3 99 B3 AD 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001ADB39B5440, 16 bytes long.
 Data: <X&#179; &#179;&#173;           > 58 B3 99 B3 AD 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001ADB39B58F0, 16 bytes long.
 Data: <0&#179; &#179;&#173;           > 30 B3 99 B3 AD 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001ADB39B5D00, 16 bytes long.
 Data: < &#179; &#179;&#173;           > 08 B3 99 B3 AD 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001ADB39B5CB0, 16 bytes long.
 Data: <&#224;&#178; &#179;&#173;           > E0 B2 99 B3 AD 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001ADB39B54E0, 16 bytes long.
 Data: <&#184;&#178; &#179;&#173;           > B8 B2 99 B3 AD 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001ADB39AF460, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x000001ADB39B53F0, 16 bytes long.
 Data: <&#144;&#178; &#179;&#173;           > 90 B2 99 B3 AD 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001ADB399B290, 320 bytes long.
 Data: <&#240;S&#155;&#179;&#173;   `&#244;&#154;&#179;&#173;   > F0 53 9B B3 AD 01 00 00 60 F4 9A B3 AD 01 00 00 
{274} normal block at 0x000001ADB39B5D50, 16 bytes long.
 Data: <@a&#155;&#179;&#173;           > 40 61 9B B3 AD 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001ADB39B5AD0, 16 bytes long.
 Data: < a&#155;&#179;&#173;           > 18 61 9B B3 AD 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001ADB39AFE80, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x000001ADB39B5080, 16 bytes long.
 Data: <&#240;`&#155;&#179;&#173;           > F0 60 9B B3 AD 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001ADB39AFAC0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x000001ADB39B53A0, 16 bytes long.
 Data: <8`&#155;&#179;&#173;           > 38 60 9B B3 AD 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001ADB39B5990, 16 bytes long.
 Data: < `&#155;&#179;&#173;           > 10 60 9B B3 AD 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001ADB39B52B0, 16 bytes long.
 Data: <&#232;_&#155;&#179;&#173;           > E8 5F 9B B3 AD 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001ADB39B5350, 16 bytes long.
 Data: <&#192;_&#155;&#179;&#173;           > C0 5F 9B B3 AD 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001ADB39B5030, 16 bytes long.
 Data: < _&#155;&#179;&#173;           > 98 5F 9B B3 AD 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001ADB39B5530, 16 bytes long.
 Data: <p_&#155;&#179;&#173;           > 70 5F 9B B3 AD 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001ADB39B4F90, 16 bytes long.
 Data: < F&#155;&#179;&#173;           > 00 46 9B B3 AD 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001ADB39B4600, 40 bytes long.
 Data: <&#144;O&#155;&#179;&#173;   @Of&#181;&#173;   > 90 4F 9B B3 AD 01 00 00 40 4F 66 B5 AD 01 00 00 
{260} normal block at 0x000001ADB39B5850, 16 bytes long.
 Data: <P_&#155;&#179;&#173;           > 50 5F 9B B3 AD 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001ADB39B5490, 16 bytes long.
 Data: <(_&#155;&#179;&#173;           > 28 5F 9B B3 AD 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001ADB39AF5E0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x000001ADB39B5C60, 16 bytes long.
 Data: < _&#155;&#179;&#173;           > 00 5F 9B B3 AD 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001ADB39B5F00, 992 bytes long.
 Data: <`\&#155;&#179;&#173;   &#224;&#245;&#154;&#179;&#173;   > 60 5C 9B B3 AD 01 00 00 E0 F5 9A B3 AD 01 00 00 
{92} normal block at 0x000001ADB39AFF40, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x000001ADB39AE300, 16 bytes long.
 Data: <`&#221;&#154;&#179;&#173;           > 60 DD 9A B3 AD 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000001ADB39ADD60, 40 bytes long.
 Data: < &#227;&#154;&#179;&#173;   @&#255;&#154;&#179;&#173;   > 00 E3 9A B3 AD 01 00 00 40 FF 9A B3 AD 01 00 00 
{69} normal block at 0x000001ADB39AE7B0, 16 bytes long.
 Data: <&#128;&#234;= &#247;           > 80 EA 3D 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001ADB39AE850, 16 bytes long.
 Data: <@&#233;= &#247;           > 40 E9 3D 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001ADB39AEB70, 16 bytes long.
 Data: <&#248;W: &#247;           > F8 57 3A 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001ADB39AE6C0, 16 bytes long.
 Data: <&#216;W: &#247;           > D8 57 3A 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001ADB39AEAD0, 16 bytes long.
 Data: <P : &#247;           > 50 04 3A 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001ADB39AE2B0, 16 bytes long.
 Data: <0 : &#247;           > 30 04 3A 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001ADB39AE940, 16 bytes long.
 Data: <&#224; : &#247;           > E0 02 3A 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001ADB39AE1C0, 16 bytes long.
 Data: <  : &#247;           > 10 04 3A 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001ADB39AE800, 16 bytes long.
 Data: <p : &#247;           > 70 04 3A 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001ADB39AE990, 16 bytes long.
 Data: < &#192;8 &#247;           > 18 C0 38 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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