Task 38670441

Name test_101-GPUGRID_TEST_ATM_40STEP_20261023-11-40-RND7693_0
Workunit 31612692
Created 25 Oct 2026, 17:32:52 UTC
Sent 25 Oct 2026, 17:32:54 UTC
Report deadline 30 Oct 2026, 17:32:54 UTC
Received 25 Oct 2026, 18:50:22 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 653456
Run time 44 min 24 sec
CPU time 40 min 13 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 18,251.30 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 821.97 MB
Peak swap size 9.25 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:07:18 (4332): wrapper (7.9.26016): starting
11:07:18 (4332): 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
11:07:20 (4332): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:07:20 (4332): 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
11:49:50 (4332): C:/Windows/system32/cmd.exe exited; CPU time 2413.171875
11:49:50 (4332): 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: 84714251 bytes.
Dumping objects ->
{3835516} normal block at 0x000001BD76EBA050, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835505} normal block at 0x000001BD76EBA0C0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835494} normal block at 0x000001BD76EB9950, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835483} normal block at 0x000001BD75115F50, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835472} normal block at 0x000001BD75115EE0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835441} normal block at 0x000001BD76EC8E10, 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) : {3835428} normal block at 0x000001BD7510E740, 8 bytes long.
 Data: <  Ru&#189;   > 00 00 52 75 BD 01 00 00 
{3833971} normal block at 0x000001BD7510E330, 8 bytes long.
 Data: < &#234;&#221;v&#189;   > 80 EA DD 76 BD 01 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x000001BD7510FD80, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000001BD75106C80, 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 0x000001BD751173E0, 16 bytes long.
 Data: < y u&#189;           > 08 79 11 75 BD 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001BD751174D0, 16 bytes long.
 Data: <&#224;x u&#189;           > E0 78 11 75 BD 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001BD75110F30, 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 0x000001BD75116F80, 16 bytes long.
 Data: <&#184;x u&#189;           > B8 78 11 75 BD 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001BD75116A80, 16 bytes long.
 Data: < x u&#189;           > 90 78 11 75 BD 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001BD75117520, 16 bytes long.
 Data: <hx u&#189;           > 68 78 11 75 BD 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001BD75116F30, 16 bytes long.
 Data: <@x u&#189;           > 40 78 11 75 BD 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001BD75116110, 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 0x000001BD751170C0, 16 bytes long.
 Data: <(&#254; u&#189;           > 28 FE 0F 75 BD 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001BD75110A50, 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 0x000001BD75116A30, 16 bytes long.
 Data: < &#254; u&#189;           > 00 FE 0F 75 BD 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001BD75116DF0, 16 bytes long.
 Data: <&#216;&#253; u&#189;           > D8 FD 0F 75 BD 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001BD751169E0, 16 bytes long.
 Data: <&#176;&#253; u&#189;           > B0 FD 0F 75 BD 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001BD75116E90, 16 bytes long.
 Data: < &#253; u&#189;           > 88 FD 0F 75 BD 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001BD75116E40, 16 bytes long.
 Data: <`&#253; u&#189;           > 60 FD 0F 75 BD 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001BD75117480, 16 bytes long.
 Data: <8&#253; u&#189;           > 38 FD 0F 75 BD 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001BD75110690, 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 0x000001BD75116BC0, 16 bytes long.
 Data: < &#253; u&#189;           > 10 FD 0F 75 BD 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001BD750FFD10, 320 bytes long.
 Data: <&#192;k u&#189;      u&#189;   > C0 6B 11 75 BD 01 00 00 90 06 11 75 BD 01 00 00 
{281} normal block at 0x000001BD75116990, 16 bytes long.
 Data: < x u&#189;           > 20 78 11 75 BD 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001BD75116C60, 16 bytes long.
 Data: <&#248;w u&#189;           > F8 77 11 75 BD 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001BD75110ED0, 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 0x000001BD75117160, 16 bytes long.
 Data: <&#208;w u&#189;           > D0 77 11 75 BD 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001BD75111350, 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 0x000001BD75117200, 16 bytes long.
 Data: < w u&#189;           > 18 77 11 75 BD 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001BD75116DA0, 16 bytes long.
 Data: <&#240;v u&#189;           > F0 76 11 75 BD 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001BD751172F0, 16 bytes long.
 Data: <&#200;v u&#189;           > C8 76 11 75 BD 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001BD75117390, 16 bytes long.
 Data: <&#160;v u&#189;           > A0 76 11 75 BD 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001BD75117110, 16 bytes long.
 Data: <xv u&#189;           > 78 76 11 75 BD 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001BD75116EE0, 16 bytes long.
 Data: <Pv u&#189;           > 50 76 11 75 BD 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001BD75116D50, 16 bytes long.
 Data: <&#160;` u&#189;           > A0 60 11 75 BD 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001BD751160A0, 40 bytes long.
 Data: <Pm u&#189;    &#142;&#236;v&#189;   > 50 6D 11 75 BD 01 00 00 10 8E EC 76 BD 01 00 00 
{267} normal block at 0x000001BD75116FD0, 16 bytes long.
 Data: <0v u&#189;           > 30 76 11 75 BD 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001BD751167B0, 16 bytes long.
 Data: < v u&#189;           > 08 76 11 75 BD 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001BD75110E70, 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 0x000001BD75116C10, 16 bytes long.
 Data: <&#224;u u&#189;           > E0 75 11 75 BD 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001BD751175E0, 992 bytes long.
 Data: < l u&#189;   p  u&#189;   > 10 6C 11 75 BD 01 00 00 70 0E 11 75 BD 01 00 00 
{99} normal block at 0x000001BD751114D0, 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 0x000001BD7510E5B0, 16 bytes long.
 Data: <0` u&#189;           > 30 60 11 75 BD 01 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x000001BD75116030, 40 bytes long.
 Data: <&#176;&#229; u&#189;   &#208;  u&#189;   > B0 E5 10 75 BD 01 00 00 D0 14 11 75 BD 01 00 00 
{76} normal block at 0x000001BD7510E100, 16 bytes long.
 Data: < &#234;&#225;t&#247;           > 80 EA E1 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000001BD7510ED80, 16 bytes long.
 Data: <@&#233;&#225;t&#247;           > 40 E9 E1 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000001BD7510EBA0, 16 bytes long.
 Data: <&#248;W&#222;t&#247;           > F8 57 DE 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001BD7510EF10, 16 bytes long.
 Data: <&#216;W&#222;t&#247;           > D8 57 DE 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001BD7510E560, 16 bytes long.
 Data: <P &#222;t&#247;           > 50 04 DE 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001BD7510E060, 16 bytes long.
 Data: <0 &#222;t&#247;           > 30 04 DE 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001BD7510E6A0, 16 bytes long.
 Data: <&#224; &#222;t&#247;           > E0 02 DE 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001BD7510EF60, 16 bytes long.
 Data: <  &#222;t&#247;           > 10 04 DE 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001BD7510EFB0, 16 bytes long.
 Data: <p &#222;t&#247;           > 70 04 DE 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001BD7510E7E0, 16 bytes long.
 Data: < &#192;&#220;t&#247;           > 18 C0 DC 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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