Task 38679921

Name test_122-GPUGRID_TEST_ATM_40STEP_20261023-29-40-RND9572_0
Workunit 31621678
Created 26 Oct 2026, 22:12:31 UTC
Sent 26 Oct 2026, 22:12:37 UTC
Report deadline 31 Oct 2026, 22:12:37 UTC
Received 26 Oct 2026, 23:22:45 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 631520
Run time 35 min 59 sec
CPU time 33 min 42 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 6,608.41 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 696.09 MB
Peak swap size 5.25 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
07:46:46 (16484): wrapper (7.9.26016): starting
07:46:46 (16484): 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
07:46:47 (16484): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:46:47 (16484): 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
08:21:23 (16484): C:/Windows/system32/cmd.exe exited; CPU time 2022.984375
08:21:23 (16484): 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: 36900351 bytes.
Dumping objects ->
{3835268} normal block at 0x00000202B965CAB0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835257} normal block at 0x00000202B76B4BA0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835246} normal block at 0x00000202B76B49E0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835235} normal block at 0x00000202B76B4970, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835224} normal block at 0x00000202B76B4B30, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835193} normal block at 0x00000202B96A5100, 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) : {3835180} normal block at 0x00000202B76B0CD0, 8 bytes long.
 Data: <  &#170;&#183;    > 00 00 AA B7 02 02 00 00 
{3834037} normal block at 0x00000202B76B0A50, 8 bytes long.
 Data: <&#176;&#195;p&#183;    > B0 C3 70 B7 02 02 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x00000202B76A6AF0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000202B76A70A0, 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 0x00000202B76B5E30, 16 bytes long.
 Data: < dk&#183;            > E8 64 6B B7 02 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000202B76B5DE0, 16 bytes long.
 Data: <&#192;dk&#183;            > C0 64 6B B7 02 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000202B76B0060, 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 0x00000202B76B59D0, 16 bytes long.
 Data: < dk&#183;            > 98 64 6B B7 02 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000202B76B5930, 16 bytes long.
 Data: <pdk&#183;            > 70 64 6B B7 02 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000202B76B5C00, 16 bytes long.
 Data: <Hdk&#183;            > 48 64 6B B7 02 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000202B76B58E0, 16 bytes long.
 Data: < dk&#183;            > 20 64 6B B7 02 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000202B76B4CF0, 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 0x00000202B76B5ED0, 16 bytes long.
 Data: <  i&#183;            > 08 FC 69 B7 02 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000202B76AFE80, 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 0x00000202B76B5BB0, 16 bytes long.
 Data: <  i&#183;            > E0 FB 69 B7 02 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000202B76B5980, 16 bytes long.
 Data: <&#184; i&#183;            > B8 FB 69 B7 02 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000202B76B5390, 16 bytes long.
 Data: <  i&#183;            > 90 FB 69 B7 02 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000202B76B5890, 16 bytes long.
 Data: <h i&#183;            > 68 FB 69 B7 02 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000202B76B55C0, 16 bytes long.
 Data: <@ i&#183;            > 40 FB 69 B7 02 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000202B76B5F70, 16 bytes long.
 Data: <  i&#183;            > 18 FB 69 B7 02 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000202B76AF9A0, 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 0x00000202B76B5C50, 16 bytes long.
 Data: <  i&#183;            > F0 FA 69 B7 02 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000202B769FAF0, 320 bytes long.
 Data: <P\k&#183;      j&#183;    > 50 5C 6B B7 02 02 00 00 A0 F9 6A B7 02 02 00 00 
{271} normal block at 0x00000202B76B5F20, 16 bytes long.
 Data: < dk&#183;            > 00 64 6B B7 02 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000202B76B52A0, 16 bytes long.
 Data: <&#216;ck&#183;            > D8 63 6B B7 02 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000202B76AFB20, 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 0x00000202B76B5840, 16 bytes long.
 Data: <&#176;ck&#183;            > B0 63 6B B7 02 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000202B76AF820, 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 0x00000202B76B5CA0, 16 bytes long.
 Data: < bk&#183;            > F8 62 6B B7 02 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000202B76B5610, 16 bytes long.
 Data: <&#208;bk&#183;            > D0 62 6B B7 02 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000202B76B56B0, 16 bytes long.
 Data: <&#168;bk&#183;            > A8 62 6B B7 02 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000202B76B6100, 16 bytes long.
 Data: < bk&#183;            > 80 62 6B B7 02 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000202B76B53E0, 16 bytes long.
 Data: <Xbk&#183;            > 58 62 6B B7 02 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000202B76B57F0, 16 bytes long.
 Data: <0bk&#183;            > 30 62 6B B7 02 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000202B76B57A0, 16 bytes long.
 Data: <&#208;Fk&#183;            > D0 46 6B B7 02 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000202B76B46D0, 40 bytes long.
 Data: < Wk&#183;     Qj&#185;    > A0 57 6B B7 02 02 00 00 00 51 6A B9 02 02 00 00 
{257} normal block at 0x00000202B76B54D0, 16 bytes long.
 Data: < bk&#183;            > 10 62 6B B7 02 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000202B76B5750, 16 bytes long.
 Data: < ak&#183;            > E8 61 6B B7 02 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000202B76AFC40, 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 0x00000202B76B6150, 16 bytes long.
 Data: <&#192;ak&#183;            > C0 61 6B B7 02 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x00000202B76B61C0, 992 bytes long.
 Data: <Pak&#183;    @ j&#183;    > 50 61 6B B7 02 02 00 00 40 FC 6A B7 02 02 00 00 
{89} normal block at 0x00000202B76AF8E0, 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 0x00000202B76B1130, 16 bytes long.
 Data: <` i&#183;            > 60 E1 69 B7 02 02 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x00000202B769E160, 40 bytes long.
 Data: <0 k&#183;      j&#183;    > 30 11 6B B7 02 02 00 00 E0 F8 6A B7 02 02 00 00 
{64} normal block at 0x00000202B76B0FA0, 16 bytes long.
 Data: <  &#168;&#198;            > 80 EA A8 C6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000202B76B0F00, 16 bytes long.
 Data: <@ &#168;&#198;            > 40 E9 A8 C6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000202B76B0550, 16 bytes long.
 Data: < W&#165;&#198;            > F8 57 A5 C6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000202B76B0730, 16 bytes long.
 Data: <&#216;W&#165;&#198;            > D8 57 A5 C6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000202B76B0460, 16 bytes long.
 Data: <P &#165;&#198;            > 50 04 A5 C6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000202B76B0410, 16 bytes long.
 Data: <0 &#165;&#198;            > 30 04 A5 C6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000202B76B0AF0, 16 bytes long.
 Data: <  &#165;&#198;            > E0 02 A5 C6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000202B76B0D70, 16 bytes long.
 Data: <  &#165;&#198;            > 10 04 A5 C6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x00000202B76B0AA0, 16 bytes long.
 Data: <p &#165;&#198;            > 70 04 A5 C6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x00000202B76B0E60, 16 bytes long.
 Data: < &#192;&#163;&#198;            > 18 C0 A3 C6 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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