Task 38681141

Name test_819-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND9153_0
Workunit 31622823
Created 27 Oct 2026, 2:50:38 UTC
Sent 27 Oct 2026, 2:50:41 UTC
Report deadline 1 Nov 2026, 2:50:41 UTC
Received 27 Oct 2026, 3:29:07 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 464555
Run time 37 min 28 sec
CPU time 36 min 52 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,117.86 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 688.62 MB
Peak swap size 6.85 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
03:51:52 (15592): wrapper (7.9.26016): starting
03:51:52 (15592): 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
03:51:53 (15592): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:51:53 (15592): 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:\BOINC\ProgramData\slots\2\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:\BOINC\ProgramData\slots\2\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
04:28:22 (15592): C:/Windows/system32/cmd.exe exited; CPU time 2212.578125
04:28:22 (15592): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 bytes in 8 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: 26484677 bytes.
Dumping objects ->
{3835238} normal block at 0x0000021FE1240FB0, 48 bytes long.
 Data: <PATH=C:\BOINC\Pr> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 
{3835227} normal block at 0x0000021FE1240F40, 48 bytes long.
 Data: <HOME=C:\BOINC\Pr> 48 4F 4D 45 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 
{3835216} normal block at 0x0000021FE1240AE0, 48 bytes long.
 Data: <TMP=C:\BOINC\Pro> 54 4D 50 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 6F 
{3835205} normal block at 0x0000021FE1241250, 48 bytes long.
 Data: <TEMP=C:\BOINC\Pr> 54 45 4D 50 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 
{3835194} normal block at 0x0000021FE1240ED0, 48 bytes long.
 Data: <TMPDIR=C:\BOINC\> 54 4D 50 44 49 52 3D 43 3A 5C 42 4F 49 4E 43 5C 
{3835163} normal block at 0x0000021FE12EC990, 64 bytes long.
 Data: <PATH=C:\BOINC\Pr> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 
{3835152} normal block at 0x0000021FDF84BFD0, 160 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {3835149} normal block at 0x0000021FDF7F7270, 8 bytes long.
 Data: <  |&#223;    > 00 00 7C DF 1F 02 00 00 
{3834546} normal block at 0x0000021FDF84BEF0, 160 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833949} normal block at 0x0000021FDF7F6C80, 8 bytes long.
 Data: <&#240;&#242;&#132;&#223;    > F0 F2 84 DF 1F 02 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x0000021FDF802040, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000021FDF7E61F0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{290} normal block at 0x0000021FDF803760, 16 bytes long.
 Data: <&#184;C &#223;            > B8 43 80 DF 1F 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000021FDF803620, 16 bytes long.
 Data: < C &#223;            > 90 43 80 DF 1F 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000021FDF7FC630, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{287} normal block at 0x0000021FDF803BC0, 16 bytes long.
 Data: <hC &#223;            > 68 43 80 DF 1F 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000021FDF803580, 16 bytes long.
 Data: <@C &#223;            > 40 43 80 DF 1F 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000021FDF803490, 16 bytes long.
 Data: < C &#223;            > 18 43 80 DF 1F 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000021FDF803710, 16 bytes long.
 Data: <&#240;B &#223;            > F0 42 80 DF 1F 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000021FDF7FE130, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{282} normal block at 0x0000021FDF8033A0, 16 bytes long.
 Data: < a~&#223;            > 88 61 7E DF 1F 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000021FDF7FC0F0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{280} normal block at 0x0000021FDF803D50, 16 bytes long.
 Data: <`a~&#223;            > 60 61 7E DF 1F 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000021FDF803A80, 16 bytes long.
 Data: <8a~&#223;            > 38 61 7E DF 1F 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000021FDF803C10, 16 bytes long.
 Data: < a~&#223;            > 10 61 7E DF 1F 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000021FDF8032B0, 16 bytes long.
 Data: <&#232;`~&#223;            > E8 60 7E DF 1F 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000021FDF803440, 16 bytes long.
 Data: <&#192;`~&#223;            > C0 60 7E DF 1F 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000021FDF803170, 16 bytes long.
 Data: < `~&#223;            > 98 60 7E DF 1F 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000021FDF7FC7B0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{272} normal block at 0x0000021FDF803670, 16 bytes long.
 Data: <p`~&#223;            > 70 60 7E DF 1F 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000021FDF7E6070, 320 bytes long.
 Data: <p6 &#223;    &#176;&#199; &#223;    > 70 36 80 DF 1F 02 00 00 B0 C7 7F DF 1F 02 00 00 
{270} normal block at 0x0000021FDF803260, 16 bytes long.
 Data: <&#208;B &#223;            > D0 42 80 DF 1F 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000021FDF803B70, 16 bytes long.
 Data: <&#168;B &#223;            > A8 42 80 DF 1F 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000021FDF7FBF10, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{267} normal block at 0x0000021FDF803850, 16 bytes long.
 Data: < B &#223;            > 80 42 80 DF 1F 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000021FDF7FC390, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{265} normal block at 0x0000021FDF803350, 16 bytes long.
 Data: <&#200;A &#223;            > C8 41 80 DF 1F 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000021FDF8031C0, 16 bytes long.
 Data: <&#160;A &#223;            > A0 41 80 DF 1F 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000021FDF803A30, 16 bytes long.
 Data: <xA &#223;            > 78 41 80 DF 1F 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000021FDF8035D0, 16 bytes long.
 Data: <PA &#223;            > 50 41 80 DF 1F 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000021FDF8039E0, 16 bytes long.
 Data: <(A &#223;            > 28 41 80 DF 1F 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000021FDF803120, 16 bytes long.
 Data: < A &#223;            > 00 41 80 DF 1F 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000021FDF8036C0, 16 bytes long.
 Data: < &#222; &#223;            > 90 DE 7F DF 1F 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000021FDF7FDE90, 40 bytes long.
 Data: <&#192;6 &#223;     &#201;.&#225;    > C0 36 80 DF 1F 02 00 00 90 C9 2E E1 1F 02 00 00 
{256} normal block at 0x0000021FDF8034E0, 16 bytes long.
 Data: <&#224;@ &#223;            > E0 40 80 DF 1F 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000021FDF8030D0, 16 bytes long.
 Data: <&#184;@ &#223;            > B8 40 80 DF 1F 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000021FDF7FBE50, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{253} normal block at 0x0000021FDF803DA0, 16 bytes long.
 Data: < @ &#223;            > 90 40 80 DF 1F 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000021FDF804090, 992 bytes long.
 Data: <&#160;= &#223;    P&#190; &#223;    > A0 3D 80 DF 1F 02 00 00 50 BE 7F DF 1F 02 00 00 
{88} normal block at 0x0000021FDF7FBA90, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{87} normal block at 0x0000021FDF7F7360, 16 bytes long.
 Data: < &#223; &#223;            > 00 DF 7F DF 1F 02 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x0000021FDF7FDF00, 40 bytes long.
 Data: <`s &#223;     &#186; &#223;    > 60 73 7F DF 1F 02 00 00 90 BA 7F DF 1F 02 00 00 
{65} normal block at 0x0000021FDF7F7040, 16 bytes long.
 Data: < &#234;&#227;i&#247;           > 80 EA E3 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000021FDF7F7A40, 16 bytes long.
 Data: <@&#233;&#227;i&#247;           > 40 E9 E3 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000021FDF7F6E60, 16 bytes long.
 Data: <&#248;W&#224;i&#247;           > F8 57 E0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000021FDF7F79F0, 16 bytes long.
 Data: <&#216;W&#224;i&#247;           > D8 57 E0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000021FDF7F7090, 16 bytes long.
 Data: <P &#224;i&#247;           > 50 04 E0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000021FDF7F7860, 16 bytes long.
 Data: <0 &#224;i&#247;           > 30 04 E0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000021FDF7F7810, 16 bytes long.
 Data: <&#224; &#224;i&#247;           > E0 02 E0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000021FDF7F77C0, 16 bytes long.
 Data: <  &#224;i&#247;           > 10 04 E0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000021FDF7F7950, 16 bytes long.
 Data: <p &#224;i&#247;           > 70 04 E0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000021FDF7F7AE0, 16 bytes long.
 Data: < &#192;&#222;i&#247;           > 18 C0 DE 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra