Task 38699499

Name test_407-GPUGRID_TEST_ATM_40STEP_20261023-24-40-RND4434_0
Workunit 31639895
Created 4 Nov 2026, 12:11:29 UTC
Sent 4 Nov 2026, 12:11:33 UTC
Report deadline 9 Nov 2026, 12:11:33 UTC
Received 4 Nov 2026, 15:53:00 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 655048
Run time 1 hours 14 min 15 sec
CPU time 1 hours 9 min 8 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 6,878.75 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 682.36 MB
Peak swap size 2.31 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
15:39:26 (6752): wrapper (7.9.26016): starting
15:39:26 (6752): 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
15:39:28 (6752): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:39:28 (6752): 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: Exiting with failure status due to previous errors
16:51:58 (6752): C:/Windows/system32/cmd.exe exited; CPU time 4148.515625
16:51:58 (6752): 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: 49472347 bytes.
Dumping objects ->
{3835183} normal block at 0x00000149FFAA6BD0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835172} normal block at 0x00000149FFAA6CB0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835161} normal block at 0x00000149FFAA7180, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835150} normal block at 0x00000149FFAA6850, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835139} normal block at 0x00000149FFAA7110, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835108} normal block at 0x00000149814F41D0, 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) : {3835095} normal block at 0x00000149FFA75600, 8 bytes long.
 Data: <  &#155; I   > 00 00 9B FF 49 01 00 00 
{3833951} normal block at 0x00000149FFA75CE0, 8 bytes long.
 Data: <  U I   > 00 20 55 81 49 01 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x00000149FFA80C60, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000149FFA81BA0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{291} normal block at 0x00000149FFA826A0, 16 bytes long.
 Data: <81&#168; I           > 38 31 A8 FF 49 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000149FFA82600, 16 bytes long.
 Data: < 1&#168; I           > 10 31 A8 FF 49 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000149FFA7C360, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{288} normal block at 0x00000149FFA82A60, 16 bytes long.
 Data: <&#232;0&#168; I           > E8 30 A8 FF 49 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000149FFA82B00, 16 bytes long.
 Data: <&#192;0&#168; I           > C0 30 A8 FF 49 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000149FFA82510, 16 bytes long.
 Data: < 0&#168; I           > 98 30 A8 FF 49 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000149FFA82420, 16 bytes long.
 Data: <p0&#168; I           > 70 30 A8 FF 49 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000149FFA7A7D0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{283} normal block at 0x00000149FFA81FC0, 16 bytes long.
 Data: <8 &#168; I           > 38 1B A8 FF 49 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000149FFA7B8E0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{281} normal block at 0x00000149FFA82150, 16 bytes long.
 Data: <  &#168; I           > 10 1B A8 FF 49 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000149FFA822E0, 16 bytes long.
 Data: <&#232; &#168; I           > E8 1A A8 FF 49 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000149FFA824C0, 16 bytes long.
 Data: <&#192; &#168; I           > C0 1A A8 FF 49 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000149FFA81CA0, 16 bytes long.
 Data: <  &#168; I           > 98 1A A8 FF 49 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000149FFA82100, 16 bytes long.
 Data: <p &#168; I           > 70 1A A8 FF 49 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000149FFA828D0, 16 bytes long.
 Data: <H &#168; I           > 48 1A A8 FF 49 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000149FFA7BE80, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{273} normal block at 0x00000149FFA82AB0, 16 bytes long.
 Data: <  &#168; I           > 20 1A A8 FF 49 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000149FFA81A20, 320 bytes long.
 Data: <&#176;*&#168; I    &#190;&#167; I   > B0 2A A8 FF 49 01 00 00 80 BE A7 FF 49 01 00 00 
{271} normal block at 0x00000149FFA82330, 16 bytes long.
 Data: <P0&#168; I           > 50 30 A8 FF 49 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000149FFA82650, 16 bytes long.
 Data: <(0&#168; I           > 28 30 A8 FF 49 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000149FFA7BFA0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{268} normal block at 0x00000149FFA81DE0, 16 bytes long.
 Data: < 0&#168; I           > 00 30 A8 FF 49 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000149FFA7B880, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{266} normal block at 0x00000149FFA829C0, 16 bytes long.
 Data: <H/&#168; I           > 48 2F A8 FF 49 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000149FFA81F70, 16 bytes long.
 Data: < /&#168; I           > 20 2F A8 FF 49 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000149FFA82A10, 16 bytes long.
 Data: <&#248;.&#168; I           > F8 2E A8 FF 49 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000149FFA82470, 16 bytes long.
 Data: <&#208;.&#168; I           > D0 2E A8 FF 49 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000149FFA82970, 16 bytes long.
 Data: <&#168;.&#168; I           > A8 2E A8 FF 49 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000149FFA821A0, 16 bytes long.
 Data: < .&#168; I           > 80 2E A8 FF 49 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000149FFA81F20, 16 bytes long.
 Data: < &#163;&#167; I           > 00 A3 A7 FF 49 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000149FFA7A300, 40 bytes long.
 Data: <  &#168; I   &#208;AO I   > 20 1F A8 FF 49 01 00 00 D0 41 4F 81 49 01 00 00 
{257} normal block at 0x00000149FFA825B0, 16 bytes long.
 Data: <`.&#168; I           > 60 2E A8 FF 49 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000149FFA82920, 16 bytes long.
 Data: <8.&#168; I           > 38 2E A8 FF 49 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000149FFA7B9A0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{254} normal block at 0x00000149FFA81ED0, 16 bytes long.
 Data: < .&#168; I           > 10 2E A8 FF 49 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x00000149FFA82E10, 992 bytes long.
 Data: <&#208; &#168; I   &#160;&#185;&#167; I   > D0 1E A8 FF 49 01 00 00 A0 B9 A7 FF 49 01 00 00 
{89} normal block at 0x00000149FFA7BA00, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{88} normal block at 0x00000149FFA75A10, 16 bytes long.
 Data: <  &#167; I           > 90 A2 A7 FF 49 01 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x00000149FFA7A290, 40 bytes long.
 Data: < Z&#167; I    &#186;&#167; I   > 10 5A A7 FF 49 01 00 00 00 BA A7 FF 49 01 00 00 
{66} normal block at 0x00000149FFA758D0, 16 bytes long.
 Data: < &#234;&#156;]&#247;           > 80 EA 9C 5D F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000149FFA756A0, 16 bytes long.
 Data: <@&#233;&#156;]&#247;           > 40 E9 9C 5D F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000149FFA75470, 16 bytes long.
 Data: <&#248;W ]&#247;           > F8 57 99 5D F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000149FFA75EC0, 16 bytes long.
 Data: <&#216;W ]&#247;           > D8 57 99 5D F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000149FFA759C0, 16 bytes long.
 Data: <P  ]&#247;           > 50 04 99 5D F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000149FFA75B00, 16 bytes long.
 Data: <0  ]&#247;           > 30 04 99 5D F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000149FFA75740, 16 bytes long.
 Data: <&#224;  ]&#247;           > E0 02 99 5D F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000149FFA760F0, 16 bytes long.
 Data: <   ]&#247;           > 10 04 99 5D F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000149FFA75420, 16 bytes long.
 Data: <p  ]&#247;           > 70 04 99 5D F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000149FFA75790, 16 bytes long.
 Data: < &#192;&#151;]&#247;           > 18 C0 97 5D F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra