Task 38679348

Name test_574-GPUGRID_TEST_ATM_40STEP_20261023-25-40-RND8921_0
Workunit 31621124
Created 26 Oct 2026, 20:15:25 UTC
Sent 26 Oct 2026, 20:15:34 UTC
Report deadline 31 Oct 2026, 20:15:34 UTC
Received 26 Oct 2026, 20:57:47 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 617738
Run time 33 min 36 sec
CPU time 32 min 41 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,210.02 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 5.21 GB
Peak swap size 6.87 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
15:24:14 (13604): wrapper (7.9.26016): starting
15:24:14 (13604): 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
15:24:15 (13604): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:24:15 (13604): 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
15:56:50 (13604): C:/Windows/system32/cmd.exe exited; CPU time 1961.484375
15:56:50 (13604): 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: 26119009 bytes.
Dumping objects ->
{3835250} normal block at 0x00000170A4A7E3B0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835239} normal block at 0x00000170A4A7D850, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835228} normal block at 0x00000170A4A7E1F0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835217} normal block at 0x00000170A2E251B0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835206} normal block at 0x00000170A2E25140, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835175} normal block at 0x00000170A4AC79B0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835164} normal block at 0x00000170A4ADF870, 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) : {3835161} normal block at 0x00000170A2E1D910, 8 bytes long.
 Data: <  :&#163;p   > 00 00 3A A3 70 01 00 00 
{3834554} normal block at 0x00000170A4ADEB60, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x00000170A2E1E0E0, 8 bytes long.
 Data: <&#240;T&#178;&#164;p   > F0 54 B2 A4 70 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000170A2E22000, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000170A2E16C80, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x00000170A2E262E0, 16 bytes long.
 Data: <&#184;l&#226;&#162;p           > B8 6C E2 A2 70 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000170A2E26240, 16 bytes long.
 Data: < l&#226;&#162;p           > 90 6C E2 A2 70 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000170A2E1FF30, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x00000170A2E25B60, 16 bytes long.
 Data: <hl&#226;&#162;p           > 68 6C E2 A2 70 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000170A2E26740, 16 bytes long.
 Data: <@l&#226;&#162;p           > 40 6C E2 A2 70 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000170A2E265B0, 16 bytes long.
 Data: < l&#226;&#162;p           > 18 6C E2 A2 70 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000170A2E26560, 16 bytes long.
 Data: <&#240;k&#226;&#162;p           > F0 6B E2 A2 70 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000170A2E25300, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x00000170A2E26830, 16 bytes long.
 Data: <&#200;&#246;&#224;&#162;p           > C8 F6 E0 A2 70 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000170A2E1FD50, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x00000170A2E25D90, 16 bytes long.
 Data: <&#160;&#246;&#224;&#162;p           > A0 F6 E0 A2 70 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000170A2E26510, 16 bytes long.
 Data: <x&#246;&#224;&#162;p           > 78 F6 E0 A2 70 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000170A2E261F0, 16 bytes long.
 Data: <P&#246;&#224;&#162;p           > 50 F6 E0 A2 70 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000170A2E25F70, 16 bytes long.
 Data: <(&#246;&#224;&#162;p           > 28 F6 E0 A2 70 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000170A2E261A0, 16 bytes long.
 Data: < &#246;&#224;&#162;p           > 00 F6 E0 A2 70 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000170A2E26150, 16 bytes long.
 Data: <&#216;&#245;&#224;&#162;p           > D8 F5 E0 A2 70 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000170A2E1FED0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x00000170A2E26470, 16 bytes long.
 Data: <&#176;&#245;&#224;&#162;p           > B0 F5 E0 A2 70 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000170A2E0F5B0, 320 bytes long.
 Data: <pd&#226;&#162;p   &#208;&#254;&#225;&#162;p   > 70 64 E2 A2 70 01 00 00 D0 FE E1 A2 70 01 00 00 
{276} normal block at 0x00000170A2E263D0, 16 bytes long.
 Data: <&#208;k&#226;&#162;p           > D0 6B E2 A2 70 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000170A2E267E0, 16 bytes long.
 Data: <&#168;k&#226;&#162;p           > A8 6B E2 A2 70 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000170A2E1FC90, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x00000170A2E25D40, 16 bytes long.
 Data: < k&#226;&#162;p           > 80 6B E2 A2 70 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000170A2E1F510, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x00000170A2E264C0, 16 bytes long.
 Data: <&#200;j&#226;&#162;p           > C8 6A E2 A2 70 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000170A2E26060, 16 bytes long.
 Data: <&#160;j&#226;&#162;p           > A0 6A E2 A2 70 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000170A2E25F20, 16 bytes long.
 Data: <xj&#226;&#162;p           > 78 6A E2 A2 70 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000170A2E260B0, 16 bytes long.
 Data: <Pj&#226;&#162;p           > 50 6A E2 A2 70 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000170A2E26010, 16 bytes long.
 Data: <(j&#226;&#162;p           > 28 6A E2 A2 70 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000170A2E26330, 16 bytes long.
 Data: < j&#226;&#162;p           > 00 6A E2 A2 70 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000170A2E26380, 16 bytes long.
 Data: < R&#226;&#162;p           > 90 52 E2 A2 70 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000170A2E25290, 40 bytes long.
 Data: < c&#226;&#162;p   &#176;y&#172;&#164;p   > 80 63 E2 A2 70 01 00 00 B0 79 AC A4 70 01 00 00 
{262} normal block at 0x00000170A2E26880, 16 bytes long.
 Data: <&#224;i&#226;&#162;p           > E0 69 E2 A2 70 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000170A2E26420, 16 bytes long.
 Data: <&#184;i&#226;&#162;p           > B8 69 E2 A2 70 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000170A2E1F8D0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x00000170A2E266F0, 16 bytes long.
 Data: < i&#226;&#162;p           > 90 69 E2 A2 70 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000170A2E26990, 992 bytes long.
 Data: <&#240;f&#226;&#162;p   &#208;&#248;&#225;&#162;p   > F0 66 E2 A2 70 01 00 00 D0 F8 E1 A2 70 01 00 00 
{94} normal block at 0x00000170A2E1FB70, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x00000170A2E1DBE0, 16 bytes long.
 Data: < R&#226;&#162;p           > 20 52 E2 A2 70 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x00000170A2E25220, 40 bytes long.
 Data: <&#224;&#219;&#225;&#162;p   p&#251;&#225;&#162;p   > E0 DB E1 A2 70 01 00 00 70 FB E1 A2 70 01 00 00 
{71} normal block at 0x00000170A2E1E2C0, 16 bytes long.
 Data: < &#234;&#221; &#246;           > 80 EA DD 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000170A2E1E220, 16 bytes long.
 Data: <@&#233;&#221; &#246;           > 40 E9 DD 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000170A2E1D8C0, 16 bytes long.
 Data: <&#248;W&#218; &#246;           > F8 57 DA 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000170A2E1DFA0, 16 bytes long.
 Data: <&#216;W&#218; &#246;           > D8 57 DA 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000170A2E1E180, 16 bytes long.
 Data: <P &#218; &#246;           > 50 04 DA 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000170A2E1E270, 16 bytes long.
 Data: <0 &#218; &#246;           > 30 04 DA 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000170A2E1DCD0, 16 bytes long.
 Data: <&#224; &#218; &#246;           > E0 02 DA 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000170A2E1DA50, 16 bytes long.
 Data: <  &#218; &#246;           > 10 04 DA 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000170A2E1DAF0, 16 bytes long.
 Data: <p &#218; &#246;           > 70 04 DA 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000170A2E1DC80, 16 bytes long.
 Data: < &#192;&#216; &#246;           > 18 C0 D8 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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