Task 38659818

Name test_1716-GPUGRID_TEST_ATM_2STEP_20261024-0-2-RND0401_0
Workunit 31603356
Created 24 Oct 2026, 13:37:47 UTC
Sent 24 Oct 2026, 16:24:44 UTC
Report deadline 29 Oct 2026, 16:24:44 UTC
Received 26 Oct 2026, 10:47:34 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652400
Run time 15 min 4 sec
CPU time 13 min 54 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 44,481.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 722.36 MB
Peak swap size 8.48 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:27:29 (15692): wrapper (7.9.26016): starting
18:27:29 (15692): 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
18:27:30 (15692): Library/usr/bin/tar.exe exited; CPU time 0.015625
18:27:30 (15692): 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
18:41:53 (15692): C:/Windows/system32/cmd.exe exited; CPU time 834.671875
18:41:53 (15692): 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: 15487503 bytes.
Dumping objects ->
{3835229} normal block at 0x00000248D5053F10, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835218} normal block at 0x00000248D5053F80, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835207} normal block at 0x00000248D5054220, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835196} normal block at 0x00000248D5053FF0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835185} normal block at 0x00000248D5053EA0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835154} normal block at 0x00000248D6E3B4F0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835143} normal block at 0x00000248D6E9C880, 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) : {3835140} normal block at 0x00000248D504D900, 8 bytes long.
 Data: <  p&#213;H   > 00 00 70 D5 48 02 00 00 
{3834544} normal block at 0x00000248D6E9D010, 102 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 0x00000248D504CBE0, 8 bytes long.
 Data: <&#208;&#215; &#213;H   > D0 D7 03 D5 48 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x00000248D504F830, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000248D503E560, 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 0x00000248D5052B70, 16 bytes long.
 Data: <x< &#213;H           > 78 3C 05 D5 48 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000248D50532F0, 16 bytes long.
 Data: <P< &#213;H           > 50 3C 05 D5 48 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000248D504E000, 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 0x00000248D5052B20, 16 bytes long.
 Data: <(< &#213;H           > 28 3C 05 D5 48 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000248D5053750, 16 bytes long.
 Data: < < &#213;H           > 00 3C 05 D5 48 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000248D50529E0, 16 bytes long.
 Data: <&#216;; &#213;H           > D8 3B 05 D5 48 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000248D5052E90, 16 bytes long.
 Data: <&#176;; &#213;H           > B0 3B 05 D5 48 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000248D5054060, 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 0x00000248D5052990, 16 bytes long.
 Data: <x&#200; &#213;H           > 78 C8 04 D5 48 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000248D504E8A0, 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 0x00000248D5053110, 16 bytes long.
 Data: <P&#200; &#213;H           > 50 C8 04 D5 48 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000248D50530C0, 16 bytes long.
 Data: <(&#200; &#213;H           > 28 C8 04 D5 48 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000248D5053840, 16 bytes long.
 Data: < &#200; &#213;H           > 00 C8 04 D5 48 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000248D5053200, 16 bytes long.
 Data: <&#216;&#199; &#213;H           > D8 C7 04 D5 48 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000248D50538E0, 16 bytes long.
 Data: <&#176;&#199; &#213;H           > B0 C7 04 D5 48 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000248D50537F0, 16 bytes long.
 Data: < &#199; &#213;H           > 88 C7 04 D5 48 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000248D504E360, 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 0x00000248D50532A0, 16 bytes long.
 Data: <`&#199; &#213;H           > 60 C7 04 D5 48 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000248D504C760, 320 bytes long.
 Data: <&#160;2 &#213;H   `&#227; &#213;H   > A0 32 05 D5 48 02 00 00 60 E3 04 D5 48 02 00 00 
{275} normal block at 0x00000248D50536B0, 16 bytes long.
 Data: < ; &#213;H           > 90 3B 05 D5 48 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000248D50537A0, 16 bytes long.
 Data: <h; &#213;H           > 68 3B 05 D5 48 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000248D504E1E0, 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 0x00000248D5052C10, 16 bytes long.
 Data: <@; &#213;H           > 40 3B 05 D5 48 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000248D504DB20, 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 0x00000248D5052AD0, 16 bytes long.
 Data: < : &#213;H           > 88 3A 05 D5 48 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000248D5053890, 16 bytes long.
 Data: <`: &#213;H           > 60 3A 05 D5 48 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000248D50535C0, 16 bytes long.
 Data: <8: &#213;H           > 38 3A 05 D5 48 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000248D5052F80, 16 bytes long.
 Data: < : &#213;H           > 10 3A 05 D5 48 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000248D50531B0, 16 bytes long.
 Data: <&#232;9 &#213;H           > E8 39 05 D5 48 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000248D50534D0, 16 bytes long.
 Data: <&#192;9 &#213;H           > C0 39 05 D5 48 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000248D5052FD0, 16 bytes long.
 Data: <0&#211; &#213;H           > 30 D3 03 D5 48 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000248D503D330, 40 bytes long.
 Data: <&#208;/ &#213;H   &#240;&#180;&#227;&#214;H   > D0 2F 05 D5 48 02 00 00 F0 B4 E3 D6 48 02 00 00 
{261} normal block at 0x00000248D5052A30, 16 bytes long.
 Data: <&#160;9 &#213;H           > A0 39 05 D5 48 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000248D5052A80, 16 bytes long.
 Data: <x9 &#213;H           > 78 39 05 D5 48 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000248D504E7E0, 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 0x00000248D5052DF0, 16 bytes long.
 Data: <P9 &#213;H           > 50 39 05 D5 48 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000248D5053950, 992 bytes long.
 Data: <&#240;- &#213;H   &#224;&#231; &#213;H   > F0 2D 05 D5 48 02 00 00 E0 E7 04 D5 48 02 00 00 
{93} normal block at 0x00000248D504E300, 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 0x00000248D504D4A0, 16 bytes long.
 Data: <&#208;&#198; &#213;H           > D0 C6 03 D5 48 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x00000248D503C6D0, 40 bytes long.
 Data: <&#160;&#212; &#213;H    &#227; &#213;H   > A0 D4 04 D5 48 02 00 00 00 E3 04 D5 48 02 00 00 
{70} normal block at 0x00000248D504D450, 16 bytes long.
 Data: < &#234;&#205;k&#247;           > 80 EA CD 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000248D504D2C0, 16 bytes long.
 Data: <@&#233;&#205;k&#247;           > 40 E9 CD 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000248D504D860, 16 bytes long.
 Data: <&#248;W&#202;k&#247;           > F8 57 CA 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000248D504D720, 16 bytes long.
 Data: <&#216;W&#202;k&#247;           > D8 57 CA 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000248D504D6D0, 16 bytes long.
 Data: <P &#202;k&#247;           > 50 04 CA 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000248D504D220, 16 bytes long.
 Data: <0 &#202;k&#247;           > 30 04 CA 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000248D504CEB0, 16 bytes long.
 Data: <&#224; &#202;k&#247;           > E0 02 CA 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000248D504D680, 16 bytes long.
 Data: <  &#202;k&#247;           > 10 04 CA 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000248D504D770, 16 bytes long.
 Data: <p &#202;k&#247;           > 70 04 CA 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000248D504D0E0, 16 bytes long.
 Data: < &#192;&#200;k&#247;           > 18 C0 C8 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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