Task 38675090

Name test_169-GPUGRID_TEST_ATM_40STEP_20261023-20-40-RND5535_0
Workunit 31617088
Created 26 Oct 2026, 7:13:11 UTC
Sent 26 Oct 2026, 7:13:13 UTC
Report deadline 31 Oct 2026, 7:13:13 UTC
Received 26 Oct 2026, 9:49:10 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 613683
Run time 36 min 8 sec
CPU time 32 min 45 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,394.34 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 700.21 MB
Peak swap size 3.84 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:24:10 (32688): wrapper (7.9.26016): starting
08:24:10 (32688): 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
08:24:13 (32688): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:24:13 (32688): 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 'E:\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 'E:\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
08:58:00 (32688): C:/Windows/system32/cmd.exe exited; CPU time 1965.562500
08:58:00 (32688): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 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: 37927729 bytes.
Dumping objects ->
{3835197} normal block at 0x000002CF4F87E310, 48 bytes long.
 Data: <PATH=E:\BOINC\sl> 50 41 54 48 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835186} normal block at 0x000002CF513354A0, 32 bytes long.
 Data: <HOME=E:\BOINC\sl> 48 4F 4D 45 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835175} normal block at 0x000002CF51335560, 32 bytes long.
 Data: <TMP=E:\BOINC\slo> 54 4D 50 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{3835164} normal block at 0x000002CF51334480, 32 bytes long.
 Data: <TEMP=E:\BOINC\sl> 54 45 4D 50 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835153} normal block at 0x000002CF513358C0, 32 bytes long.
 Data: <TMPDIR=E:\BOINC\> 54 4D 50 44 49 52 3D 45 3A 5C 42 4F 49 4E 43 5C 
{3835122} normal block at 0x000002CF4F87E7E0, 48 bytes long.
 Data: <PATH=E:\BOINC\sl> 50 41 54 48 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 
..\api\boinc_api.cpp(309) : {3835109} normal block at 0x000002CF4F877A10, 8 bytes long.
 Data: <  {O&#207;   > 00 00 7B 4F CF 02 00 00 
{3833953} normal block at 0x000002CF4F877B00, 8 bytes long.
 Data: <&#208; 7Q&#207;   > D0 20 37 51 CF 02 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000002CF4F881CC0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002CF4F87DF60, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{292} normal block at 0x000002CF4F8836B0, 16 bytes long.
 Data: <&#184;= O&#207;           > B8 3D 88 4F CF 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002CF4F882E90, 16 bytes long.
 Data: < = O&#207;           > 90 3D 88 4F CF 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002CF4F87C9E0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{289} normal block at 0x000002CF4F883660, 16 bytes long.
 Data: <h= O&#207;           > 68 3D 88 4F CF 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002CF4F882DF0, 16 bytes long.
 Data: <@= O&#207;           > 40 3D 88 4F CF 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002CF4F883610, 16 bytes long.
 Data: < = O&#207;           > 18 3D 88 4F CF 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002CF4F882DA0, 16 bytes long.
 Data: <&#240;< O&#207;           > F0 3C 88 4F CF 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002CF4F87EA10, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{284} normal block at 0x000002CF4F8835C0, 16 bytes long.
 Data: <&#216;`&#134;O&#207;           > D8 60 86 4F CF 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002CF4F87C740, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{282} normal block at 0x000002CF4F883520, 16 bytes long.
 Data: <&#176;`&#134;O&#207;           > B0 60 86 4F CF 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002CF4F883890, 16 bytes long.
 Data: < `&#134;O&#207;           > 88 60 86 4F CF 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002CF4F8833E0, 16 bytes long.
 Data: <``&#134;O&#207;           > 60 60 86 4F CF 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002CF4F883390, 16 bytes long.
 Data: <8`&#134;O&#207;           > 38 60 86 4F CF 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002CF4F882C60, 16 bytes long.
 Data: < `&#134;O&#207;           > 10 60 86 4F CF 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002CF4F8839D0, 16 bytes long.
 Data: <&#232;_&#134;O&#207;           > E8 5F 86 4F CF 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002CF4F87D160, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{274} normal block at 0x000002CF4F883340, 16 bytes long.
 Data: <&#192;_&#134;O&#207;           > C0 5F 86 4F CF 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002CF4F865FC0, 320 bytes long.
 Data: <@3 O&#207;   `&#209;&#135;O&#207;   > 40 33 88 4F CF 02 00 00 60 D1 87 4F CF 02 00 00 
{272} normal block at 0x000002CF4F8831B0, 16 bytes long.
 Data: <&#208;< O&#207;           > D0 3C 88 4F CF 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002CF4F882B20, 16 bytes long.
 Data: <&#168;< O&#207;           > A8 3C 88 4F CF 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002CF4F87D040, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{269} normal block at 0x000002CF4F883110, 16 bytes long.
 Data: < < O&#207;           > 80 3C 88 4F CF 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002CF4F87CF20, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{267} normal block at 0x000002CF4F882D50, 16 bytes long.
 Data: <&#200;; O&#207;           > C8 3B 88 4F CF 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002CF4F883430, 16 bytes long.
 Data: <&#160;; O&#207;           > A0 3B 88 4F CF 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002CF4F8830C0, 16 bytes long.
 Data: <x; O&#207;           > 78 3B 88 4F CF 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002CF4F882BC0, 16 bytes long.
 Data: <P; O&#207;           > 50 3B 88 4F CF 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002CF4F8834D0, 16 bytes long.
 Data: <(; O&#207;           > 28 3B 88 4F CF 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002CF4F8837A0, 16 bytes long.
 Data: < ; O&#207;           > 00 3B 88 4F CF 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002CF4F8832A0, 16 bytes long.
 Data: <P&#232;&#135;O&#207;           > 50 E8 87 4F CF 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002CF4F87E850, 40 bytes long.
 Data: <&#160;2 O&#207;   &#224;&#231;&#135;O&#207;   > A0 32 88 4F CF 02 00 00 E0 E7 87 4F CF 02 00 00 
{258} normal block at 0x000002CF4F8838E0, 16 bytes long.
 Data: <&#224;: O&#207;           > E0 3A 88 4F CF 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002CF4F882FD0, 16 bytes long.
 Data: <&#184;: O&#207;           > B8 3A 88 4F CF 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002CF4F87D4C0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{255} normal block at 0x000002CF4F883200, 16 bytes long.
 Data: < : O&#207;           > 90 3A 88 4F CF 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000002CF4F883A90, 992 bytes long.
 Data: < 2 O&#207;   &#192;&#212;&#135;O&#207;   > 00 32 88 4F CF 02 00 00 C0 D4 87 4F CF 02 00 00 
{90} normal block at 0x000002CF4F87D400, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{89} normal block at 0x000002CF4F877EC0, 16 bytes long.
 Data: < &#227;&#135;O&#207;           > 80 E3 87 4F CF 02 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x000002CF4F87E380, 40 bytes long.
 Data: <&#192;~&#135;O&#207;    &#212;&#135;O&#207;   > C0 7E 87 4F CF 02 00 00 00 D4 87 4F CF 02 00 00 
{67} normal block at 0x000002CF4F8785F0, 16 bytes long.
 Data: < &#234; &#156;&#247;           > 80 EA 0D 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002CF4F8778D0, 16 bytes long.
 Data: <@&#233; &#156;&#247;           > 40 E9 0D 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002CF4F878550, 16 bytes long.
 Data: <&#248;W &#156;&#247;           > F8 57 0A 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002CF4F877880, 16 bytes long.
 Data: <&#216;W &#156;&#247;           > D8 57 0A 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002CF4F8780A0, 16 bytes long.
 Data: <P  &#156;&#247;           > 50 04 0A 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002CF4F8784B0, 16 bytes long.
 Data: <0  &#156;&#247;           > 30 04 0A 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002CF4F877830, 16 bytes long.
 Data: <&#224;  &#156;&#247;           > E0 02 0A 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002CF4F878460, 16 bytes long.
 Data: <   &#156;&#247;           > 10 04 0A 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002CF4F878410, 16 bytes long.
 Data: <p  &#156;&#247;           > 70 04 0A 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002CF4F878190, 16 bytes long.
 Data: < &#192; &#156;&#247;           > 18 C0 08 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra