Task 38667309

Name test_433-GPUGRID_TEST_ATM_40STEP_20261023-14-40-RND2747_0
Workunit 31609952
Created 25 Oct 2026, 7:19:44 UTC
Sent 25 Oct 2026, 7:21:12 UTC
Report deadline 30 Oct 2026, 7:21:12 UTC
Received 25 Oct 2026, 8:57:42 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652183
Run time 24 min 9 sec
CPU time 20 min 34 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,325.87 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 716.12 MB
Peak swap size 11.44 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
02:34:15 (17380): wrapper (7.9.26016): starting
02:34:15 (17380): 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
02:34:16 (17380): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:34:16 (17380): 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\14\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\14\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
02:57:36 (17380): C:/Windows/system32/cmd.exe exited; CPU time 1234.718750
02:57:36 (17380): 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: 28797795 bytes.
Dumping objects ->
{3835255} normal block at 0x000002C7FB8121F0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835244} normal block at 0x000002C7FB812110, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835233} normal block at 0x000002C7FB812030, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835222} normal block at 0x000002C7FB811FC0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835211} normal block at 0x000002C7FB811E70, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835180} normal block at 0x000002C7FD5AA430, 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) : {3835167} normal block at 0x000002C7FB80C290, 8 bytes long.
 Data: <  &#207;&#251;&#199;   > 00 00 CF FB C7 02 00 00 
{3833957} normal block at 0x000002C7FB80C1A0, 8 bytes long.
 Data: <  e&#253;&#199;   > 20 0B 65 FD C7 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000002C7FB80E350, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002C7FB8051D0, 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 0x000002C7FB8130B0, 16 bytes long.
 Data: <&#184;* &#251;&#199;           > B8 2A 81 FB C7 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002C7FB813970, 16 bytes long.
 Data: < * &#251;&#199;           > 90 2A 81 FB C7 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002C7FB80D8E0, 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 0x000002C7FB812E80, 16 bytes long.
 Data: <h* &#251;&#199;           > 68 2A 81 FB C7 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002C7FB8135B0, 16 bytes long.
 Data: <@* &#251;&#199;           > 40 2A 81 FB C7 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002C7FB812F70, 16 bytes long.
 Data: < * &#251;&#199;           > 18 2A 81 FB C7 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002C7FB813920, 16 bytes long.
 Data: <&#240;) &#251;&#199;           > F0 29 81 FB C7 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002C7FB811D90, 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 0x000002C7FB813510, 16 bytes long.
 Data: <&#168;&#179; &#251;&#199;           > A8 B3 7F FB C7 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002C7FB80D520, 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 0x000002C7FB813100, 16 bytes long.
 Data: < &#179; &#251;&#199;           > 80 B3 7F FB C7 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002C7FB812E30, 16 bytes long.
 Data: <X&#179; &#251;&#199;           > 58 B3 7F FB C7 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002C7FB813330, 16 bytes long.
 Data: <0&#179; &#251;&#199;           > 30 B3 7F FB C7 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002C7FB812FC0, 16 bytes long.
 Data: < &#179; &#251;&#199;           > 08 B3 7F FB C7 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002C7FB813240, 16 bytes long.
 Data: <&#224;&#178; &#251;&#199;           > E0 B2 7F FB C7 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002C7FB812DE0, 16 bytes long.
 Data: <&#184;&#178; &#251;&#199;           > B8 B2 7F FB C7 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002C7FB80CF80, 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 0x000002C7FB813790, 16 bytes long.
 Data: < &#178; &#251;&#199;           > 90 B2 7F FB C7 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002C7FB7FB290, 320 bytes long.
 Data: < 7 &#251;&#199;    &#207; &#251;&#199;   > 90 37 81 FB C7 02 00 00 80 CF 80 FB C7 02 00 00 
{274} normal block at 0x000002C7FB8133D0, 16 bytes long.
 Data: <&#208;) &#251;&#199;           > D0 29 81 FB C7 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002C7FB812D40, 16 bytes long.
 Data: <&#168;) &#251;&#199;           > A8 29 81 FB C7 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002C7FB80CF20, 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 0x000002C7FB813A10, 16 bytes long.
 Data: < ) &#251;&#199;           > 80 29 81 FB C7 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002C7FB80CEC0, 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 0x000002C7FB812CA0, 16 bytes long.
 Data: <&#200;( &#251;&#199;           > C8 28 81 FB C7 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002C7FB812CF0, 16 bytes long.
 Data: <&#160;( &#251;&#199;           > A0 28 81 FB C7 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002C7FB812F20, 16 bytes long.
 Data: <x( &#251;&#199;           > 78 28 81 FB C7 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002C7FB813560, 16 bytes long.
 Data: <P( &#251;&#199;           > 50 28 81 FB C7 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002C7FB812D90, 16 bytes long.
 Data: <(( &#251;&#199;           > 28 28 81 FB C7 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002C7FB80C150, 16 bytes long.
 Data: < ( &#251;&#199;           > 00 28 81 FB C7 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002C7FB80C8D0, 16 bytes long.
 Data: <`" &#251;&#199;           > 60 22 81 FB C7 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002C7FB812260, 40 bytes long.
 Data: <&#208;&#200; &#251;&#199;   0&#164;Z&#253;&#199;   > D0 C8 80 FB C7 02 00 00 30 A4 5A FD C7 02 00 00 
{260} normal block at 0x000002C7FB80C100, 16 bytes long.
 Data: <&#224;' &#251;&#199;           > E0 27 81 FB C7 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002C7FB80BE30, 16 bytes long.
 Data: <&#184;' &#251;&#199;           > B8 27 81 FB C7 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002C7FB80D9A0, 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 0x000002C7FB80BDE0, 16 bytes long.
 Data: < ' &#251;&#199;           > 90 27 81 FB C7 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002C7FB812790, 992 bytes long.
 Data: <&#224;&#189; &#251;&#199;   &#160;&#217; &#251;&#199;   > E0 BD 80 FB C7 02 00 00 A0 D9 80 FB C7 02 00 00 
{92} normal block at 0x000002C7FB80D6A0, 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 0x000002C7FB80C6A0, 16 bytes long.
 Data: <P&#219; &#251;&#199;           > 50 DB 7F FB C7 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000002C7FB7FDB50, 40 bytes long.
 Data: <&#160;&#198; &#251;&#199;   &#160;&#214; &#251;&#199;   > A0 C6 80 FB C7 02 00 00 A0 D6 80 FB C7 02 00 00 
{69} normal block at 0x000002C7FB80CA10, 16 bytes long.
 Data: < &#234; k&#247;           > 80 EA 88 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002C7FB80C740, 16 bytes long.
 Data: <@&#233; k&#247;           > 40 E9 88 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002C7FB80C970, 16 bytes long.
 Data: <&#248;W&#133;k&#247;           > F8 57 85 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002C7FB80C3D0, 16 bytes long.
 Data: <&#216;W&#133;k&#247;           > D8 57 85 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002C7FB80C790, 16 bytes long.
 Data: <P &#133;k&#247;           > 50 04 85 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002C7FB80BD40, 16 bytes long.
 Data: <0 &#133;k&#247;           > 30 04 85 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002C7FB80C010, 16 bytes long.
 Data: <&#224; &#133;k&#247;           > E0 02 85 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002C7FB80BFC0, 16 bytes long.
 Data: <  &#133;k&#247;           > 10 04 85 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002C7FB80C9C0, 16 bytes long.
 Data: <p &#133;k&#247;           > 70 04 85 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002C7FB80C470, 16 bytes long.
 Data: < &#192;&#131;k&#247;           > 18 C0 83 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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