Task 38684549

Name test_461-GPUGRID_TEST_ATM_40STEP_20261023-20-40-RND1783_0
Workunit 31626060
Created 27 Oct 2026, 16:53:56 UTC
Sent 27 Oct 2026, 16:54:03 UTC
Report deadline 1 Nov 2026, 16:54:03 UTC
Received 27 Oct 2026, 17:23:57 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 640732
Run time 23 min 17 sec
CPU time 23 min 17 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 109,325.87 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 747.88 MB
Peak swap size 13.25 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:57:16 (19496): wrapper (7.9.26016): starting
16:57:16 (19496): 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
16:57:19 (19496): Library/usr/bin/tar.exe exited; CPU time 0.062500
16:57:19 (19496): 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\62\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\62\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
17:22:08 (19496): C:/Windows/system32/cmd.exe exited; CPU time 1397.375000
17:22:08 (19496): 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: 28127167 bytes.
Dumping objects ->
{3835192} normal block at 0x000001DB0E6FCF80, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835181} normal block at 0x000001DB0E6FC730, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835170} normal block at 0x000001DB0E6FC5E0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835159} normal block at 0x000001DB0CA04940, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835148} normal block at 0x000001DB0CA04C50, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835117} normal block at 0x000001DB0E74ABD0, 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) : {3835104} normal block at 0x000001DB0C9FFEF0, 8 bytes long.
 Data: <  &#224; &#219;   > 00 00 E0 0C DB 01 00 00 
{3833961} normal block at 0x000001DB0CA00490, 8 bytes long.
 Data: <0Dz &#219;   > 30 44 7A 0E DB 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001DB0C9F65D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001DB0C9F77F0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x000001DB0CA05C60, 16 bytes long.
 Data: < e&#160; &#219;           > 98 65 A0 0C DB 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001DB0CA05C10, 16 bytes long.
 Data: <pe&#160; &#219;           > 70 65 A0 0C DB 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001DB0CA014A0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x000001DB0CA06160, 16 bytes long.
 Data: <He&#160; &#219;           > 48 65 A0 0C DB 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001DB0CA06110, 16 bytes long.
 Data: < e&#160; &#219;           > 20 65 A0 0C DB 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001DB0CA058A0, 16 bytes long.
 Data: <&#248;d&#160; &#219;           > F8 64 A0 0C DB 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001DB0CA05E40, 16 bytes long.
 Data: <&#208;d&#160; &#219;           > D0 64 A0 0C DB 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001DB0CA04710, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x000001DB0CA05A80, 16 bytes long.
 Data: < &#249;&#158; &#219;           > 88 F9 9E 0C DB 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001DB0CA00F60, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x000001DB0CA060C0, 16 bytes long.
 Data: <`&#249;&#158; &#219;           > 60 F9 9E 0C DB 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001DB0CA06070, 16 bytes long.
 Data: <8&#249;&#158; &#219;           > 38 F9 9E 0C DB 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001DB0CA059E0, 16 bytes long.
 Data: < &#249;&#158; &#219;           > 10 F9 9E 0C DB 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001DB0CA05A30, 16 bytes long.
 Data: <&#232;&#248;&#158; &#219;           > E8 F8 9E 0C DB 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001DB0CA05990, 16 bytes long.
 Data: <&#192;&#248;&#158; &#219;           > C0 F8 9E 0C DB 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001DB0CA05490, 16 bytes long.
 Data: < &#248;&#158; &#219;           > 98 F8 9E 0C DB 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001DB0CA01560, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x000001DB0CA05F80, 16 bytes long.
 Data: <p&#248;&#158; &#219;           > 70 F8 9E 0C DB 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001DB0C9EF870, 320 bytes long.
 Data: < _&#160; &#219;   ` &#160; &#219;   > 80 5F A0 0C DB 01 00 00 60 15 A0 0C DB 01 00 00 
{276} normal block at 0x000001DB0CA05BC0, 16 bytes long.
 Data: <&#176;d&#160; &#219;           > B0 64 A0 0C DB 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001DB0CA05940, 16 bytes long.
 Data: < d&#160; &#219;           > 88 64 A0 0C DB 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001DB0CA01440, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x000001DB0CA05530, 16 bytes long.
 Data: <`d&#160; &#219;           > 60 64 A0 0C DB 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001DB0CA012C0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x000001DB0CA05E90, 16 bytes long.
 Data: <&#168;c&#160; &#219;           > A8 63 A0 0C DB 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001DB0CA06020, 16 bytes long.
 Data: < c&#160; &#219;           > 80 63 A0 0C DB 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001DB0CA05B70, 16 bytes long.
 Data: <Xc&#160; &#219;           > 58 63 A0 0C DB 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001DB0CA056C0, 16 bytes long.
 Data: <0c&#160; &#219;           > 30 63 A0 0C DB 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001DB0CA058F0, 16 bytes long.
 Data: < c&#160; &#219;           > 08 63 A0 0C DB 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001DB0CA05B20, 16 bytes long.
 Data: <&#224;b&#160; &#219;           > E0 62 A0 0C DB 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001DB0CA05710, 16 bytes long.
 Data: <&#176;I&#160; &#219;           > B0 49 A0 0C DB 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001DB0CA049B0, 40 bytes long.
 Data: < W&#160; &#219;   &#208;&#171;t &#219;   > 10 57 A0 0C DB 01 00 00 D0 AB 74 0E DB 01 00 00 
{262} normal block at 0x000001DB0CA05DF0, 16 bytes long.
 Data: <&#192;b&#160; &#219;           > C0 62 A0 0C DB 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001DB0CA05DA0, 16 bytes long.
 Data: < b&#160; &#219;           > 98 62 A0 0C DB 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001DB0CA00780, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x000001DB0CA05AD0, 16 bytes long.
 Data: <pb&#160; &#219;           > 70 62 A0 0C DB 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001DB0CA06270, 992 bytes long.
 Data: <&#208;Z&#160; &#219;     &#160; &#219;   > D0 5A A0 0C DB 01 00 00 80 07 A0 0C DB 01 00 00 
{94} normal block at 0x000001DB0CA01620, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x000001DB0C9FF950, 16 bytes long.
 Data: <&#192;L&#160; &#219;           > C0 4C A0 0C DB 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001DB0CA04CC0, 40 bytes long.
 Data: <P&#249;&#159; &#219;     &#160; &#219;   > 50 F9 9F 0C DB 01 00 00 20 16 A0 0C DB 01 00 00 
{71} normal block at 0x000001DB0CA00580, 16 bytes long.
 Data: < &#234;>&#229;&#246;           > 80 EA 3E E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001DB0C9FFF90, 16 bytes long.
 Data: <@&#233;>&#229;&#246;           > 40 E9 3E E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001DB0C9FFD60, 16 bytes long.
 Data: <&#248;W;&#229;&#246;           > F8 57 3B E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001DB0CA00210, 16 bytes long.
 Data: <&#216;W;&#229;&#246;           > D8 57 3B E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001DB0C9FFBD0, 16 bytes long.
 Data: <P ;&#229;&#246;           > 50 04 3B E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001DB0C9FF770, 16 bytes long.
 Data: <0 ;&#229;&#246;           > 30 04 3B E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001DB0CA00170, 16 bytes long.
 Data: <&#224; ;&#229;&#246;           > E0 02 3B E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001DB0CA00120, 16 bytes long.
 Data: <  ;&#229;&#246;           > 10 04 3B E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001DB0C9FFE00, 16 bytes long.
 Data: <p ;&#229;&#246;           > 70 04 3B E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001DB0CA003A0, 16 bytes long.
 Data: < &#192;9&#229;&#246;           > 18 C0 39 E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra