Task 38688710

Name test_530-GPUGRID_TEST_ATM_40STEP_20261023-29-40-RND0107_0
Workunit 31630034
Created 28 Oct 2026, 15:44:05 UTC
Sent 28 Oct 2026, 15:44:10 UTC
Report deadline 2 Nov 2026, 15:44:10 UTC
Received 28 Oct 2026, 16:34:55 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 429162
Run time 41 min 52 sec
CPU time 38 min 41 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 13,278.76 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 700.12 MB
Peak swap size 3.85 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:54:14 (10996): wrapper (7.9.26016): starting
16:54:14 (10996): 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
16:54:16 (10996): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:54:16 (10996): 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 'D:\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 'D:\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
17:34:31 (10996): C:/Windows/system32/cmd.exe exited; CPU time 2321.421875
17:34:31 (10996): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 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: 39855554 bytes.
Dumping objects ->
{3835280} normal block at 0x00000239DCB30A00, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835269} normal block at 0x00000239DCB31090, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835258} normal block at 0x00000239DCB313A0, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835247} normal block at 0x00000239DCB31170, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835236} normal block at 0x00000239DCB31020, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835205} normal block at 0x00000239DCBDE290, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835194} normal block at 0x00000239DCBDF380, 85 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) : {3835191} normal block at 0x00000239DAF77E40, 8 bytes long.
 Data: <  &#151;&#220;9   > 00 00 97 DC 39 02 00 00 
{3834566} normal block at 0x00000239DCBDECA0, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x00000239DAF77DF0, 8 bytes long.
 Data: <0&&#200;&#220;9   > 30 26 C8 DC 39 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x00000239DAF829E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000239DAF6D590, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x00000239DAF841A0, 16 bytes long.
 Data: < P&#248;&#218;9           > 18 50 F8 DA 39 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000239DAF83930, 16 bytes long.
 Data: <&#240;O&#248;&#218;9           > F0 4F F8 DA 39 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000239DAF7C900, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x00000239DAF84100, 16 bytes long.
 Data: <&#200;O&#248;&#218;9           > C8 4F F8 DA 39 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000239DAF84330, 16 bytes long.
 Data: <&#160;O&#248;&#218;9           > A0 4F F8 DA 39 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000239DAF84880, 16 bytes long.
 Data: <xO&#248;&#218;9           > 78 4F F8 DA 39 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000239DAF83E80, 16 bytes long.
 Data: <PO&#248;&#218;9           > 50 4F F8 DA 39 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000239DAF7D790, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x00000239DAF84600, 16 bytes long.
 Data: <H&#192;&#246;&#218;9           > 48 C0 F6 DA 39 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000239DAF7D020, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x00000239DAF83DE0, 16 bytes long.
 Data: < &#192;&#246;&#218;9           > 20 C0 F6 DA 39 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000239DAF83C50, 16 bytes long.
 Data: <&#248;&#191;&#246;&#218;9           > F8 BF F6 DA 39 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000239DAF843D0, 16 bytes long.
 Data: <&#208;&#191;&#246;&#218;9           > D0 BF F6 DA 39 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000239DAF83E30, 16 bytes long.
 Data: <&#168;&#191;&#246;&#218;9           > A8 BF F6 DA 39 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000239DAF84060, 16 bytes long.
 Data: < &#191;&#246;&#218;9           > 80 BF F6 DA 39 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000239DAF84380, 16 bytes long.
 Data: <X&#191;&#246;&#218;9           > 58 BF F6 DA 39 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000239DAF7C540, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x00000239DAF83BB0, 16 bytes long.
 Data: <0&#191;&#246;&#218;9           > 30 BF F6 DA 39 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000239DAF6BF30, 320 bytes long.
 Data: <&#176;;&#248;&#218;9   @&#197;&#247;&#218;9   > B0 3B F8 DA 39 02 00 00 40 C5 F7 DA 39 02 00 00 
{275} normal block at 0x00000239DAF84830, 16 bytes long.
 Data: <0O&#248;&#218;9           > 30 4F F8 DA 39 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000239DAF847E0, 16 bytes long.
 Data: < O&#248;&#218;9           > 08 4F F8 DA 39 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000239DAF7C4E0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x00000239DAF83B10, 16 bytes long.
 Data: <&#224;N&#248;&#218;9           > E0 4E F8 DA 39 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000239DAF7CF00, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x00000239DAF83FC0, 16 bytes long.
 Data: <(N&#248;&#218;9           > 28 4E F8 DA 39 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000239DAF84790, 16 bytes long.
 Data: < N&#248;&#218;9           > 00 4E F8 DA 39 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000239DAF846A0, 16 bytes long.
 Data: <&#216;M&#248;&#218;9           > D8 4D F8 DA 39 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000239DAF84650, 16 bytes long.
 Data: <&#176;M&#248;&#218;9           > B0 4D F8 DA 39 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000239DAF83D90, 16 bytes long.
 Data: < M&#248;&#218;9           > 88 4D F8 DA 39 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000239DAF84010, 16 bytes long.
 Data: <`M&#248;&#218;9           > 60 4D F8 DA 39 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000239DAF839D0, 16 bytes long.
 Data: <&#176;&#214;&#247;&#218;9           > B0 D6 F7 DA 39 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000239DAF7D6B0, 40 bytes long.
 Data: <&#208;9&#248;&#218;9    &#226;&#189;&#220;9   > D0 39 F8 DA 39 02 00 00 90 E2 BD DC 39 02 00 00 
{261} normal block at 0x00000239DAF846F0, 16 bytes long.
 Data: <@M&#248;&#218;9           > 40 4D F8 DA 39 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000239DAF84290, 16 bytes long.
 Data: < M&#248;&#218;9           > 18 4D F8 DA 39 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000239DAF7CC60, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x00000239DAF83A70, 16 bytes long.
 Data: <&#240;L&#248;&#218;9           > F0 4C F8 DA 39 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000239DAF84CF0, 992 bytes long.
 Data: <p:&#248;&#218;9   `&#204;&#247;&#218;9   > 70 3A F8 DA 39 02 00 00 60 CC F7 DA 39 02 00 00 
{93} normal block at 0x00000239DAF7D3E0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x00000239DAF77DA0, 16 bytes long.
 Data: <&#240;&#219;&#247;&#218;9           > F0 DB F7 DA 39 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x00000239DAF7DBF0, 40 bytes long.
 Data: <&#160;}&#247;&#218;9   &#224;&#211;&#247;&#218;9   > A0 7D F7 DA 39 02 00 00 E0 D3 F7 DA 39 02 00 00 
{70} normal block at 0x00000239DAF77BC0, 16 bytes long.
 Data: < &#234; &#165;&#247;           > 80 EA 07 A5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000239DAF77940, 16 bytes long.
 Data: <@&#233; &#165;&#247;           > 40 E9 07 A5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000239DAF77A30, 16 bytes long.
 Data: <&#248;W &#165;&#247;           > F8 57 04 A5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000239DAF78250, 16 bytes long.
 Data: <&#216;W &#165;&#247;           > D8 57 04 A5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000239DAF778A0, 16 bytes long.
 Data: <P  &#165;&#247;           > 50 04 04 A5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000239DAF78570, 16 bytes long.
 Data: <0  &#165;&#247;           > 30 04 04 A5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000239DAF77C60, 16 bytes long.
 Data: <&#224;  &#165;&#247;           > E0 02 04 A5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000239DAF77AD0, 16 bytes long.
 Data: <   &#165;&#247;           > 10 04 04 A5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000239DAF77D00, 16 bytes long.
 Data: <p  &#165;&#247;           > 70 04 04 A5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000239DAF77670, 16 bytes long.
 Data: < &#192; &#165;&#247;           > 18 C0 02 A5 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra