Task 38681908

Name test_149-GPUGRID_TEST_ATM_40STEP_20261023-18-40-RND3600_0
Workunit 31623550
Created 27 Oct 2026, 5:50:54 UTC
Sent 27 Oct 2026, 5:50:58 UTC
Report deadline 1 Nov 2026, 5:50:58 UTC
Received 28 Oct 2026, 3:20:57 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 634205
Run time 53 min 47 sec
CPU time 52 min 1 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 7,990.82 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 769.66 MB
Peak swap size 12.94 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.4</core_client_version>
<![CDATA[
<stderr_txt>
13:12:55 (19712): wrapper (7.9.26016): starting
13:12:55 (19712): 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
13:12:56 (19712): Library/usr/bin/tar.exe exited; CPU time 0.015625
13:12:56 (19712): 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\29\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\29\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
14:05:38 (19712): C:/Windows/system32/cmd.exe exited; CPU time 3121.515625
14:05:38 (19712): 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: 70661161 bytes.
Dumping objects ->
{3835521} normal block at 0x00000295AE2F8BB0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835510} normal block at 0x00000295AE2F9240, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835499} normal block at 0x00000295AE2F8B40, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835488} normal block at 0x00000295AE2F8FA0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835477} normal block at 0x00000295AE2F94E0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835446} normal block at 0x00000295AFF780E0, 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) : {3835433} normal block at 0x00000295AE2D0F20, 8 bytes long.
 Data: <  &&#174;&#149;   > 00 00 26 AE 95 02 00 00 
{3833971} normal block at 0x00000295AE2D0C50, 8 bytes long.
 Data: < &#229;&#232;&#175;&#149;   > 80 E5 E8 AF 95 02 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x00000295AE2C6220, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x00000295AE2C7E50, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{301} normal block at 0x00000295AE2D5680, 16 bytes long.
 Data: <&#248;e-&#174;&#149;           > F8 65 2D AE 95 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x00000295AE2D5BD0, 16 bytes long.
 Data: <&#208;e-&#174;&#149;           > D0 65 2D AE 95 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000295AE2D0360, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{298} normal block at 0x00000295AE2D6170, 16 bytes long.
 Data: <&#168;e-&#174;&#149;           > A8 65 2D AE 95 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000295AE2D5DB0, 16 bytes long.
 Data: < e-&#174;&#149;           > 80 65 2D AE 95 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000295AE2D5A90, 16 bytes long.
 Data: <Xe-&#174;&#149;           > 58 65 2D AE 95 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000295AE2D5810, 16 bytes long.
 Data: <0e-&#174;&#149;           > 30 65 2D AE 95 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000295AE2CE460, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{293} normal block at 0x00000295AE2D5E00, 16 bytes long.
 Data: <&#168; ,&#174;&#149;           > A8 01 2C AE 95 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000295AE2CFCA0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{291} normal block at 0x00000295AE2D5630, 16 bytes long.
 Data: <  ,&#174;&#149;           > 80 01 2C AE 95 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000295AE2D5950, 16 bytes long.
 Data: <X ,&#174;&#149;           > 58 01 2C AE 95 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000295AE2D5EF0, 16 bytes long.
 Data: <0 ,&#174;&#149;           > 30 01 2C AE 95 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000295AE2D5310, 16 bytes long.
 Data: <  ,&#174;&#149;           > 08 01 2C AE 95 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000295AE2D6120, 16 bytes long.
 Data: <&#224; ,&#174;&#149;           > E0 00 2C AE 95 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000295AE2D5A40, 16 bytes long.
 Data: <&#184; ,&#174;&#149;           > B8 00 2C AE 95 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000295AE2D0420, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{283} normal block at 0x00000295AE2D5540, 16 bytes long.
 Data: <  ,&#174;&#149;           > 90 00 2C AE 95 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000295AE2C0090, 320 bytes long.
 Data: <@U-&#174;&#149;     -&#174;&#149;   > 40 55 2D AE 95 02 00 00 20 04 2D AE 95 02 00 00 
{281} normal block at 0x00000295AE2D5EA0, 16 bytes long.
 Data: < e-&#174;&#149;           > 10 65 2D AE 95 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000295AE2D57C0, 16 bytes long.
 Data: <&#232;d-&#174;&#149;           > E8 64 2D AE 95 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000295AE2CFD60, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{278} normal block at 0x00000295AE2D5B80, 16 bytes long.
 Data: <&#192;d-&#174;&#149;           > C0 64 2D AE 95 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000295AE2D0660, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{276} normal block at 0x00000295AE2D6210, 16 bytes long.
 Data: < d-&#174;&#149;           > 08 64 2D AE 95 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000295AE2D5360, 16 bytes long.
 Data: <&#224;c-&#174;&#149;           > E0 63 2D AE 95 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000295AE2D59F0, 16 bytes long.
 Data: <&#184;c-&#174;&#149;           > B8 63 2D AE 95 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000295AE2D54F0, 16 bytes long.
 Data: < c-&#174;&#149;           > 90 63 2D AE 95 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000295AE2D59A0, 16 bytes long.
 Data: <hc-&#174;&#149;           > 68 63 2D AE 95 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000295AE2D5C70, 16 bytes long.
 Data: <@c-&#174;&#149;           > 40 63 2D AE 95 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000295AE2D6030, 16 bytes long.
 Data: <P&#232;,&#174;&#149;           > 50 E8 2C AE 95 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000295AE2CE850, 40 bytes long.
 Data: <0`-&#174;&#149;   &#224; &#247;&#175;&#149;   > 30 60 2D AE 95 02 00 00 E0 80 F7 AF 95 02 00 00 
{267} normal block at 0x00000295AE2D55E0, 16 bytes long.
 Data: < c-&#174;&#149;           > 20 63 2D AE 95 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000295AE2D5C20, 16 bytes long.
 Data: <&#248;b-&#174;&#149;           > F8 62 2D AE 95 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000295AE2D0600, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{264} normal block at 0x00000295AE2D5590, 16 bytes long.
 Data: <&#208;b-&#174;&#149;           > D0 62 2D AE 95 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000295AE2D62D0, 992 bytes long.
 Data: < U-&#174;&#149;     -&#174;&#149;   > 90 55 2D AE 95 02 00 00 00 06 2D AE 95 02 00 00 
{99} normal block at 0x00000295AE2CFA60, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{98} normal block at 0x00000295AE2D1060, 16 bytes long.
 Data: < &#230;,&#174;&#149;           > 90 E6 2C AE 95 02 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x00000295AE2CE690, 40 bytes long.
 Data: <` -&#174;&#149;   `&#250;,&#174;&#149;   > 60 10 2D AE 95 02 00 00 60 FA 2C AE 95 02 00 00 
{76} normal block at 0x00000295AE2D0B10, 16 bytes long.
 Data: < &#234;<x&#247;           > 80 EA 3C 78 F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x00000295AE2D12E0, 16 bytes long.
 Data: <@&#233;<x&#247;           > 40 E9 3C 78 F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x00000295AE2D11F0, 16 bytes long.
 Data: <&#248;W9x&#247;           > F8 57 39 78 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000295AE2D0ED0, 16 bytes long.
 Data: <&#216;W9x&#247;           > D8 57 39 78 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000295AE2D16A0, 16 bytes long.
 Data: <P 9x&#247;           > 50 04 39 78 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000295AE2D0CF0, 16 bytes long.
 Data: <0 9x&#247;           > 30 04 39 78 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000295AE2D1650, 16 bytes long.
 Data: <&#224; 9x&#247;           > E0 02 39 78 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000295AE2D15B0, 16 bytes long.
 Data: <  9x&#247;           > 10 04 39 78 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000295AE2D1150, 16 bytes long.
 Data: <p 9x&#247;           > 70 04 39 78 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000295AE2D0D90, 16 bytes long.
 Data: < &#192;7x&#247;           > 18 C0 37 78 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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