Task 38672215

Name test_764-GPUGRID_TEST_ATM_40STEP_20261023-18-40-RND4469_0
Workunit 31614379
Created 25 Oct 2026, 22:46:25 UTC
Sent 25 Oct 2026, 22:46:30 UTC
Report deadline 30 Oct 2026, 22:46:30 UTC
Received 26 Oct 2026, 0:54:37 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654663
Run time 40 min 53 sec
CPU time 35 min 45 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 82,578.99 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 724.95 MB
Peak swap size 8.62 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
01:14:55 (35028): wrapper (7.9.26016): starting
01:14:55 (35028): 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
01:14:57 (35028): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:14:57 (35028): 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
01:54:06 (35028): C:/Windows/system32/cmd.exe exited; CPU time 2145.046875
01:54:06 (35028): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 52052083 bytes.
Dumping objects ->
{3835219} normal block at 0x00000258CB74DE70, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835208} normal block at 0x00000258CB74DE00, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835197} normal block at 0x00000258CB74DD20, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835186} normal block at 0x00000258CB74E340, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835175} normal block at 0x00000258C9B15470, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835144} normal block at 0x00000258CB795230, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835133} normal block at 0x00000258CB7AF0E0, 102 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) : {3835130} normal block at 0x00000258C9B0DF20, 8 bytes long.
 Data: <   &#202;X   > 00 00 06 CA 58 02 00 00 
{3834536} normal block at 0x00000258CB7AF660, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x00000258C9B0D7A0, 8 bytes long.
 Data: < &#229;&#190;&#201;X   > 10 E5 BE C9 58 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000258C9B120E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000258C9B066D0, 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 0x00000258C9B15C10, 16 bytes long.
 Data: <&#184;m&#177;&#201;X           > B8 6D B1 C9 58 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000258C9B160C0, 16 bytes long.
 Data: < m&#177;&#201;X           > 90 6D B1 C9 58 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000258C9B0F8F0, 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 0x00000258C9B16020, 16 bytes long.
 Data: <hm&#177;&#201;X           > 68 6D B1 C9 58 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000258C9B15F80, 16 bytes long.
 Data: <@m&#177;&#201;X           > 40 6D B1 C9 58 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000258C9B168E0, 16 bytes long.
 Data: < m&#177;&#201;X           > 18 6D B1 C9 58 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000258C9B15F30, 16 bytes long.
 Data: <&#240;l&#177;&#201;X           > F0 6C B1 C9 58 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000258C9B14FA0, 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 0x00000258C9B15B70, 16 bytes long.
 Data: < &#232;&#175;&#201;X           > 98 E8 AF C9 58 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000258C9B10010, 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 0x00000258C9B15D50, 16 bytes long.
 Data: <p&#232;&#175;&#201;X           > 70 E8 AF C9 58 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000258C9B161B0, 16 bytes long.
 Data: <H&#232;&#175;&#201;X           > 48 E8 AF C9 58 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000258C9B16840, 16 bytes long.
 Data: < &#232;&#175;&#201;X           > 20 E8 AF C9 58 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000258C9B15EE0, 16 bytes long.
 Data: <&#248;&#231;&#175;&#201;X           > F8 E7 AF C9 58 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000258C9B16250, 16 bytes long.
 Data: <&#208;&#231;&#175;&#201;X           > D0 E7 AF C9 58 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000258C9B15B20, 16 bytes long.
 Data: <&#168;&#231;&#175;&#201;X           > A8 E7 AF C9 58 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000258C9B105B0, 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 0x00000258C9B15E90, 16 bytes long.
 Data: < &#231;&#175;&#201;X           > 80 E7 AF C9 58 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000258C9AFE780, 320 bytes long.
 Data: < ^&#177;&#201;X   &#176; &#177;&#201;X   > 90 5E B1 C9 58 02 00 00 B0 05 B1 C9 58 02 00 00 
{276} normal block at 0x00000258C9B16890, 16 bytes long.
 Data: <&#208;l&#177;&#201;X           > D0 6C B1 C9 58 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000258C9B16660, 16 bytes long.
 Data: <&#168;l&#177;&#201;X           > A8 6C B1 C9 58 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000258C9B0FF50, 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 0x00000258C9B15E40, 16 bytes long.
 Data: < l&#177;&#201;X           > 80 6C B1 C9 58 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000258C9B0FE30, 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 0x00000258C9B165C0, 16 bytes long.
 Data: <&#200;k&#177;&#201;X           > C8 6B B1 C9 58 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000258C9B16980, 16 bytes long.
 Data: <&#160;k&#177;&#201;X           > A0 6B B1 C9 58 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000258C9B16930, 16 bytes long.
 Data: <xk&#177;&#201;X           > 78 6B B1 C9 58 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000258C9B169D0, 16 bytes long.
 Data: <Pk&#177;&#201;X           > 50 6B B1 C9 58 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000258C9B167F0, 16 bytes long.
 Data: <(k&#177;&#201;X           > 28 6B B1 C9 58 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000258C9B15FD0, 16 bytes long.
 Data: < k&#177;&#201;X           > 00 6B B1 C9 58 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000258C9B16A20, 16 bytes long.
 Data: <&#224;T&#177;&#201;X           > E0 54 B1 C9 58 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000258C9B154E0, 40 bytes long.
 Data: < j&#177;&#201;X   0Ry&#203;X   > 20 6A B1 C9 58 02 00 00 30 52 79 CB 58 02 00 00 
{262} normal block at 0x00000258C9B15AD0, 16 bytes long.
 Data: <&#224;j&#177;&#201;X           > E0 6A B1 C9 58 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000258C9B16750, 16 bytes long.
 Data: <&#184;j&#177;&#201;X           > B8 6A B1 C9 58 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000258C9B0FC50, 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 0x00000258C9B16390, 16 bytes long.
 Data: < j&#177;&#201;X           > 90 6A B1 C9 58 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000258C9B16A90, 992 bytes long.
 Data: < c&#177;&#201;X   P&#252;&#176;&#201;X   > 90 63 B1 C9 58 02 00 00 50 FC B0 C9 58 02 00 00 
{94} normal block at 0x00000258C9B10670, 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 0x00000258C9B0E5B0, 16 bytes long.
 Data: <&#240;P&#177;&#201;X           > F0 50 B1 C9 58 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x00000258C9B150F0, 40 bytes long.
 Data: <&#176;&#229;&#176;&#201;X   p &#177;&#201;X   > B0 E5 B0 C9 58 02 00 00 70 06 B1 C9 58 02 00 00 
{71} normal block at 0x00000258C9B0DA20, 16 bytes long.
 Data: < &#234;&#232;&#246;&#247;           > 80 EA E8 F6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000258C9B0DC00, 16 bytes long.
 Data: <@&#233;&#232;&#246;&#247;           > 40 E9 E8 F6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000258C9B0DD90, 16 bytes long.
 Data: <&#248;W&#229;&#246;&#247;           > F8 57 E5 F6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000258C9B0E560, 16 bytes long.
 Data: <&#216;W&#229;&#246;&#247;           > D8 57 E5 F6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000258C9B0DAC0, 16 bytes long.
 Data: <P &#229;&#246;&#247;           > 50 04 E5 F6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000258C9B0E150, 16 bytes long.
 Data: <0 &#229;&#246;&#247;           > 30 04 E5 F6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000258C9B0DA70, 16 bytes long.
 Data: <&#224; &#229;&#246;&#247;           > E0 02 E5 F6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000258C9B0E100, 16 bytes long.
 Data: <  &#229;&#246;&#247;           > 10 04 E5 F6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000258C9B0D7F0, 16 bytes long.
 Data: <p &#229;&#246;&#247;           > 70 04 E5 F6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000258C9B0DB10, 16 bytes long.
 Data: < &#192;&#227;&#246;&#247;           > 18 C0 E3 F6 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra