Task 38695467

Name test_575-GPUGRID_TEST_ATM_40STEP_20261023-35-40-RND4817_0
Workunit 31636171
Created 31 Oct 2026, 11:01:53 UTC
Sent 31 Oct 2026, 11:01:57 UTC
Report deadline 5 Nov 2026, 11:01:57 UTC
Received 31 Oct 2026, 11:32:08 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 512671
Run time 29 min 31 sec
CPU time 26 min 37 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 13,451.30 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 715.27 MB
Peak swap size 9.82 GB
Peak disk usage 3.71 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
07:03:36 (251976): wrapper (7.9.26016): starting
07:03:36 (251976): 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
07:03:37 (251976): Library/usr/bin/tar.exe exited; CPU time 0.046875
07:03:37 (251976): 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\24\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\24\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
07:31:48 (251976): C:/Windows/system32/cmd.exe exited; CPU time 1597.250000
07:31:48 (251976): 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: 43427753 bytes.
Dumping objects ->
{3835263} normal block at 0x00000186AF2FC740, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835252} normal block at 0x00000186AD564E20, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835241} normal block at 0x00000186AD564BF0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835230} normal block at 0x00000186AD564B10, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835219} normal block at 0x00000186AD564DB0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835188} normal block at 0x00000186AF34B950, 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) : {3835175} normal block at 0x00000186AD55DBA0, 8 bytes long.
 Data: <  "&#175;&#134;   > 00 00 22 AF 86 01 00 00 
{3833965} normal block at 0x00000186AD55D2E0, 8 bytes long.
 Data: < &#228;!&#175;&#134;   > 00 E4 21 AF 86 01 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x00000186AD561560, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000186AD54CA00, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x00000186AD565E30, 16 bytes long.
 Data: < iV&#173;&#134;           > 98 69 56 AD 86 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000186AD5658E0, 16 bytes long.
 Data: <piV&#173;&#134;           > 70 69 56 AD 86 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000186AD55F930, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x00000186AD5665B0, 16 bytes long.
 Data: <HiV&#173;&#134;           > 48 69 56 AD 86 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000186AD565CF0, 16 bytes long.
 Data: < iV&#173;&#134;           > 20 69 56 AD 86 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000186AD565C00, 16 bytes long.
 Data: <&#248;hV&#173;&#134;           > F8 68 56 AD 86 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000186AD566420, 16 bytes long.
 Data: <&#208;hV&#173;&#134;           > D0 68 56 AD 86 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000186AD564F00, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x00000186AD565F20, 16 bytes long.
 Data: < &#142;U&#173;&#134;           > 18 8E 55 AD 86 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000186AD55F990, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x00000186AD565FC0, 16 bytes long.
 Data: <&#240; U&#173;&#134;           > F0 8D 55 AD 86 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000186AD565ED0, 16 bytes long.
 Data: <&#200; U&#173;&#134;           > C8 8D 55 AD 86 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000186AD565980, 16 bytes long.
 Data: <&#160; U&#173;&#134;           > A0 8D 55 AD 86 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000186AD565890, 16 bytes long.
 Data: <x U&#173;&#134;           > 78 8D 55 AD 86 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000186AD565840, 16 bytes long.
 Data: <P U&#173;&#134;           > 50 8D 55 AD 86 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000186AD566510, 16 bytes long.
 Data: <( U&#173;&#134;           > 28 8D 55 AD 86 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000186AD55F8D0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x00000186AD5664C0, 16 bytes long.
 Data: <  U&#173;&#134;           > 00 8D 55 AD 86 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000186AD558D00, 320 bytes long.
 Data: <&#192;dV&#173;&#134;   &#208;&#248;U&#173;&#134;   > C0 64 56 AD 86 01 00 00 D0 F8 55 AD 86 01 00 00 
{278} normal block at 0x00000186AD5663D0, 16 bytes long.
 Data: <&#176;hV&#173;&#134;           > B0 68 56 AD 86 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000186AD5657F0, 16 bytes long.
 Data: < hV&#173;&#134;           > 88 68 56 AD 86 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000186AD55F870, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x00000186AD5657A0, 16 bytes long.
 Data: <`hV&#173;&#134;           > 60 68 56 AD 86 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000186AD55F690, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x00000186AD566560, 16 bytes long.
 Data: <&#168;gV&#173;&#134;           > A8 67 56 AD 86 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000186AD5662E0, 16 bytes long.
 Data: < gV&#173;&#134;           > 80 67 56 AD 86 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000186AD565930, 16 bytes long.
 Data: <XgV&#173;&#134;           > 58 67 56 AD 86 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000186AD565750, 16 bytes long.
 Data: <0gV&#173;&#134;           > 30 67 56 AD 86 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000186AD565A20, 16 bytes long.
 Data: < gV&#173;&#134;           > 08 67 56 AD 86 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000186AD565700, 16 bytes long.
 Data: <&#224;fV&#173;&#134;           > E0 66 56 AD 86 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000186AD566380, 16 bytes long.
 Data: <&#160;QV&#173;&#134;           > A0 51 56 AD 86 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000186AD5651A0, 40 bytes long.
 Data: < cV&#173;&#134;   P&#185;4&#175;&#134;   > 80 63 56 AD 86 01 00 00 50 B9 34 AF 86 01 00 00 
{264} normal block at 0x00000186AD565D40, 16 bytes long.
 Data: <&#192;fV&#173;&#134;           > C0 66 56 AD 86 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000186AD5656B0, 16 bytes long.
 Data: < fV&#173;&#134;           > 98 66 56 AD 86 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000186AD55EDF0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x00000186AD565DE0, 16 bytes long.
 Data: <pfV&#173;&#134;           > 70 66 56 AD 86 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000186AD566670, 992 bytes long.
 Data: <&#224;]V&#173;&#134;   &#240;&#237;U&#173;&#134;   > E0 5D 56 AD 86 01 00 00 F0 ED 55 AD 86 01 00 00 
{96} normal block at 0x00000186AD55F810, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x00000186AD55D330, 16 bytes long.
 Data: < &#238;T&#173;&#134;           > 10 EE 54 AD 86 01 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x00000186AD54EE10, 40 bytes long.
 Data: <0&#211;U&#173;&#134;    &#248;U&#173;&#134;   > 30 D3 55 AD 86 01 00 00 10 F8 55 AD 86 01 00 00 
{73} normal block at 0x00000186AD55D420, 16 bytes long.
 Data: < &#234;~&#192;&#247;           > 80 EA 7E C0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000186AD55D970, 16 bytes long.
 Data: <@&#233;~&#192;&#247;           > 40 E9 7E C0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000186AD55D1A0, 16 bytes long.
 Data: <&#248;W{&#192;&#247;           > F8 57 7B C0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000186AD55D600, 16 bytes long.
 Data: <&#216;W{&#192;&#247;           > D8 57 7B C0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000186AD55DB50, 16 bytes long.
 Data: <P {&#192;&#247;           > 50 04 7B C0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000186AD55DC40, 16 bytes long.
 Data: <0 {&#192;&#247;           > 30 04 7B C0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000186AD55D830, 16 bytes long.
 Data: <&#224; {&#192;&#247;           > E0 02 7B C0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000186AD55D650, 16 bytes long.
 Data: <  {&#192;&#247;           > 10 04 7B C0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000186AD55D920, 16 bytes long.
 Data: <p {&#192;&#247;           > 70 04 7B C0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000186AD55D740, 16 bytes long.
 Data: < &#192;y&#192;&#247;           > 18 C0 79 C0 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra