Task 38685642

Name test_435-GPUGRID_TEST_ATM_40STEP_20261023-20-40-RND5744_0
Workunit 31627103
Created 27 Oct 2026, 22:11:39 UTC
Sent 27 Oct 2026, 22:11:43 UTC
Report deadline 1 Nov 2026, 22:11:43 UTC
Received 27 Oct 2026, 23:10:54 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 645443
Run time 51 min 39 sec
CPU time 38 min 43 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 693.48 MB
Peak swap size 3.89 GB
Peak disk usage 3.11 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
22:21:14 (35800): wrapper (7.9.26016): starting
22:21:14 (35800): 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
22:21:21 (35800): Library/usr/bin/tar.exe exited; CPU time 0.015625
22:21:21 (35800): 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
23:10:02 (35800): C:/Windows/system32/cmd.exe exited; CPU time 2323.078125
23:10:02 (35800): 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: 84973555 bytes.
Dumping objects ->
{3835267} normal block at 0x000001D68806F1E0, 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 0x000001D68806EBC0, 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 0x000001D68806E920, 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 0x000001D68806EF40, 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 0x000001D68806E7D0, 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 0x000001D689EDF4E0, 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 0x000001D689E94290, 8 bytes long.
 Data: <  H &#214;   > 00 00 48 88 D6 01 00 00 
{3833969} normal block at 0x000001D689E95370, 8 bytes long.
 Data: <ph&#243;&#137;&#214;   > 70 68 F3 89 D6 01 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000001D68803D0B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x000001D688037060, 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 0x000001D688048F20, 16 bytes long.
 Data: <(&#197;  &#214;           > 28 C5 04 88 D6 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001D688049D30, 16 bytes long.
 Data: < &#197;  &#214;           > 00 C5 04 88 D6 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001D688044B10, 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 0x000001D6880497E0, 16 bytes long.
 Data: <&#216;&#196;  &#214;           > D8 C4 04 88 D6 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001D688048ED0, 16 bytes long.
 Data: <&#176;&#196;  &#214;           > B0 C4 04 88 D6 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001D688049560, 16 bytes long.
 Data: < &#196;  &#214;           > 88 C4 04 88 D6 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001D688049CE0, 16 bytes long.
 Data: <`&#196;  &#214;           > 60 C4 04 88 D6 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001D688046F50, 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 0x000001D6880491A0, 16 bytes long.
 Data: <8&#191;  &#214;           > 38 BF 04 88 D6 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001D6880454D0, 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 0x000001D688049A10, 16 bytes long.
 Data: < &#191;  &#214;           > 10 BF 04 88 D6 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001D688049740, 16 bytes long.
 Data: <&#232;&#190;  &#214;           > E8 BE 04 88 D6 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001D688049060, 16 bytes long.
 Data: <&#192;&#190;  &#214;           > C0 BE 04 88 D6 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001D6880490B0, 16 bytes long.
 Data: < &#190;  &#214;           > 98 BE 04 88 D6 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001D688049420, 16 bytes long.
 Data: <p&#190;  &#214;           > 70 BE 04 88 D6 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001D6880496F0, 16 bytes long.
 Data: <H&#190;  &#214;           > 48 BE 04 88 D6 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001D688045350, 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 0x000001D688049650, 16 bytes long.
 Data: < &#190;  &#214;           > 20 BE 04 88 D6 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001D68804BE20, 320 bytes long.
 Data: <P&#150;  &#214;   PS  &#214;   > 50 96 04 88 D6 01 00 00 50 53 04 88 D6 01 00 00 
{280} normal block at 0x000001D688049330, 16 bytes long.
 Data: <@&#196;  &#214;           > 40 C4 04 88 D6 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001D688048E30, 16 bytes long.
 Data: < &#196;  &#214;           > 18 C4 04 88 D6 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001D6880457D0, 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 0x000001D688049830, 16 bytes long.
 Data: <&#240;&#195;  &#214;           > F0 C3 04 88 D6 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001D688044DB0, 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 0x000001D688049100, 16 bytes long.
 Data: <8&#195;  &#214;           > 38 C3 04 88 D6 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001D6880496A0, 16 bytes long.
 Data: < &#195;  &#214;           > 10 C3 04 88 D6 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001D688049150, 16 bytes long.
 Data: <&#232;&#194;  &#214;           > E8 C2 04 88 D6 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001D688049C90, 16 bytes long.
 Data: <&#192;&#194;  &#214;           > C0 C2 04 88 D6 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001D688049B00, 16 bytes long.
 Data: < &#194;  &#214;           > 98 C2 04 88 D6 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001D6880494C0, 16 bytes long.
 Data: <p&#194;  &#214;           > 70 C2 04 88 D6 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001D688048DE0, 16 bytes long.
 Data: <&#224;n  &#214;           > E0 6E 04 88 D6 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001D688046EE0, 40 bytes long.
 Data: <&#224;   &#214;   &#224;&#244;&#237;&#137;&#214;   > E0 8D 04 88 D6 01 00 00 E0 F4 ED 89 D6 01 00 00 
{266} normal block at 0x000001D688049920, 16 bytes long.
 Data: <P&#194;  &#214;           > 50 C2 04 88 D6 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001D6880495B0, 16 bytes long.
 Data: <(&#194;  &#214;           > 28 C2 04 88 D6 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001D6880450B0, 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 0x000001D688049C40, 16 bytes long.
 Data: < &#194;  &#214;           > 00 C2 04 88 D6 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001D68804C200, 992 bytes long.
 Data: <@&#156;  &#214;   &#176;P  &#214;   > 40 9C 04 88 D6 01 00 00 B0 50 04 88 D6 01 00 00 
{98} normal block at 0x000001D688045530, 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 0x000001D688049A60, 16 bytes long.
 Data: <&#192;o  &#214;           > C0 6F 04 88 D6 01 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x000001D688046FC0, 40 bytes long.
 Data: <`&#154;  &#214;   0U  &#214;   > 60 9A 04 88 D6 01 00 00 30 55 04 88 D6 01 00 00 
{75} normal block at 0x000001D6880499C0, 16 bytes long.
 Data: < &#234;  &#247;           > 80 EA 05 14 F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000001D68803DCB0, 16 bytes long.
 Data: <@&#233;  &#247;           > 40 E9 05 14 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001D68803D800, 16 bytes long.
 Data: <&#248;W  &#247;           > F8 57 02 14 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001D68803E340, 16 bytes long.
 Data: <&#216;W  &#247;           > D8 57 02 14 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001D68803DC10, 16 bytes long.
 Data: <P   &#247;           > 50 04 02 14 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001D68803E250, 16 bytes long.
 Data: <0   &#247;           > 30 04 02 14 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001D68803D7B0, 16 bytes long.
 Data: <&#224;   &#247;           > E0 02 02 14 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001D68803E2A0, 16 bytes long.
 Data: <    &#247;           > 10 04 02 14 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001D68803E3E0, 16 bytes long.
 Data: <p   &#247;           > 70 04 02 14 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001D68803D760, 16 bytes long.
 Data: < &#192;  &#247;           > 18 C0 00 14 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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