Task 38678242

Name test_464-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND5424_0
Workunit 31620072
Created 26 Oct 2026, 16:49:25 UTC
Sent 26 Oct 2026, 16:49:28 UTC
Report deadline 31 Oct 2026, 16:49:28 UTC
Received 26 Oct 2026, 17:44:48 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 645443
Run time 47 min 25 sec
CPU time 37 min 26 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 19,172.90 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 696.79 MB
Peak swap size 3.89 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:59:35 (27008): wrapper (7.9.26016): starting
16:59:35 (27008): 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
16:59:42 (27008): Library/usr/bin/tar.exe exited; CPU time 0.125000
16:59:42 (27008): 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
17:44:08 (27008): C:/Windows/system32/cmd.exe exited; CPU time 2246.140625
17:44:08 (27008): 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: 78900239 bytes.
Dumping objects ->
{3835267} normal block at 0x0000016FE7A80C40, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835256} normal block at 0x0000016FE7A80380, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835245} normal block at 0x0000016FE7A80BD0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835234} normal block at 0x0000016FE7A80310, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835223} normal block at 0x0000016FE7A81030, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835192} normal block at 0x0000016FE963F1A0, 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) : {3835179} normal block at 0x0000016FE95F62E0, 8 bytes long.
 Data: <  7&#233;o   > 00 00 37 E9 6F 01 00 00 
{3833969} normal block at 0x0000016FE95F6510, 8 bytes long.
 Data: <P&#159;i&#233;o   > 50 9F 69 E9 6F 01 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000016FE7A4C560, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000016FE7A45F50, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{300} normal block at 0x0000016FE7A5A5A0, 16 bytes long.
 Data: <H&#225;&#165;&#231;o           > 48 E1 A5 E7 6F 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000016FE7A5A550, 16 bytes long.
 Data: < &#225;&#165;&#231;o           > 20 E1 A5 E7 6F 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000016FE7A56350, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{297} normal block at 0x0000016FE7A5A7D0, 16 bytes long.
 Data: <&#248;&#224;&#165;&#231;o           > F8 E0 A5 E7 6F 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000016FE7A5ACD0, 16 bytes long.
 Data: <&#208;&#224;&#165;&#231;o           > D0 E0 A5 E7 6F 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000016FE7A5A460, 16 bytes long.
 Data: <&#168;&#224;&#165;&#231;o           > A8 E0 A5 E7 6F 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000016FE7A5A3C0, 16 bytes long.
 Data: < &#224;&#165;&#231;o           > 80 E0 A5 E7 6F 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000016FE7A58560, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{292} normal block at 0x0000016FE7A5A140, 16 bytes long.
 Data: <X&#219;&#165;&#231;o           > 58 DB A5 E7 6F 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000016FE7A56E30, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{290} normal block at 0x0000016FE7A5A0F0, 16 bytes long.
 Data: <0&#219;&#165;&#231;o           > 30 DB A5 E7 6F 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000016FE7A5A370, 16 bytes long.
 Data: < &#219;&#165;&#231;o           > 08 DB A5 E7 6F 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000016FE7A5AC80, 16 bytes long.
 Data: <&#224;&#218;&#165;&#231;o           > E0 DA A5 E7 6F 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000016FE7A5ABE0, 16 bytes long.
 Data: <&#184;&#218;&#165;&#231;o           > B8 DA A5 E7 6F 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000016FE7A5AAF0, 16 bytes long.
 Data: < &#218;&#165;&#231;o           > 90 DA A5 E7 6F 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000016FE7A5AA00, 16 bytes long.
 Data: <h&#218;&#165;&#231;o           > 68 DA A5 E7 6F 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000016FE7A564D0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{282} normal block at 0x0000016FE7A5A2D0, 16 bytes long.
 Data: <@&#218;&#165;&#231;o           > 40 DA A5 E7 6F 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000016FE7A5DA40, 320 bytes long.
 Data: <&#208;&#162;&#165;&#231;o   &#208;d&#165;&#231;o   > D0 A2 A5 E7 6F 01 00 00 D0 64 A5 E7 6F 01 00 00 
{280} normal block at 0x0000016FE7A5A870, 16 bytes long.
 Data: <`&#224;&#165;&#231;o           > 60 E0 A5 E7 6F 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000016FE7A5AAA0, 16 bytes long.
 Data: <8&#224;&#165;&#231;o           > 38 E0 A5 E7 6F 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000016FE7A56290, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{277} normal block at 0x0000016FE7A5AE60, 16 bytes long.
 Data: < &#224;&#165;&#231;o           > 10 E0 A5 E7 6F 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000016FE7A561D0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{275} normal block at 0x0000016FE7A5A780, 16 bytes long.
 Data: <X&#223;&#165;&#231;o           > 58 DF A5 E7 6F 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000016FE7A5A690, 16 bytes long.
 Data: <0&#223;&#165;&#231;o           > 30 DF A5 E7 6F 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000016FE7A5A730, 16 bytes long.
 Data: < &#223;&#165;&#231;o           > 08 DF A5 E7 6F 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000016FE7A5A9B0, 16 bytes long.
 Data: <&#224;&#222;&#165;&#231;o           > E0 DE A5 E7 6F 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000016FE7A5AE10, 16 bytes long.
 Data: <&#184;&#222;&#165;&#231;o           > B8 DE A5 E7 6F 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000016FE7A5A640, 16 bytes long.
 Data: < &#222;&#165;&#231;o           > 90 DE A5 E7 6F 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000016FE7A5A190, 16 bytes long.
 Data: <&#192;&#130;&#165;&#231;o           > C0 82 A5 E7 6F 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000016FE7A582C0, 40 bytes long.
 Data: < &#161;&#165;&#231;o   &#160;&#241;c&#233;o   > 90 A1 A5 E7 6F 01 00 00 A0 F1 63 E9 6F 01 00 00 
{266} normal block at 0x0000016FE7A5AD70, 16 bytes long.
 Data: <p&#222;&#165;&#231;o           > 70 DE A5 E7 6F 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000016FE7A5A6E0, 16 bytes long.
 Data: <H&#222;&#165;&#231;o           > 48 DE A5 E7 6F 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000016FE7A55F90, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{263} normal block at 0x0000016FE7A5AD20, 16 bytes long.
 Data: < &#222;&#165;&#231;o           > 20 DE A5 E7 6F 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000016FE7A5DE20, 992 bytes long.
 Data: < &#173;&#165;&#231;o    _&#165;&#231;o   > 20 AD A5 E7 6F 01 00 00 90 5F A5 E7 6F 01 00 00 
{98} normal block at 0x0000016FE7A56770, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{97} normal block at 0x0000016FE7A5AFA0, 16 bytes long.
 Data: <@ &#165;&#231;o           > 40 7F A5 E7 6F 01 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x0000016FE7A57F40, 40 bytes long.
 Data: <&#160;&#175;&#165;&#231;o   pg&#165;&#231;o   > A0 AF A5 E7 6F 01 00 00 70 67 A5 E7 6F 01 00 00 
{75} normal block at 0x0000016FE7A5A280, 16 bytes long.
 Data: < &#234;6b&#246;           > 80 EA 36 62 F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x0000016FE7A4DC00, 16 bytes long.
 Data: <@&#233;6b&#246;           > 40 E9 36 62 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000016FE7A4DAC0, 16 bytes long.
 Data: <&#248;W3b&#246;           > F8 57 33 62 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000016FE7A4D1B0, 16 bytes long.
 Data: <&#216;W3b&#246;           > D8 57 33 62 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000016FE7A4DA20, 16 bytes long.
 Data: <P 3b&#246;           > 50 04 33 62 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000016FE7A4D9D0, 16 bytes long.
 Data: <0 3b&#246;           > 30 04 33 62 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000016FE7A4D7A0, 16 bytes long.
 Data: <&#224; 3b&#246;           > E0 02 33 62 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000016FE7A4D750, 16 bytes long.
 Data: <  3b&#246;           > 10 04 33 62 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000016FE7A4D6B0, 16 bytes long.
 Data: <p 3b&#246;           > 70 04 33 62 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000016FE7A4D5C0, 16 bytes long.
 Data: < &#192;1b&#246;           > 18 C0 31 62 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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