Task 38675591

Name test_901-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND6361_0
Workunit 31617555
Created 26 Oct 2026, 8:44:09 UTC
Sent 26 Oct 2026, 8:44:22 UTC
Report deadline 31 Oct 2026, 8:44:22 UTC
Received 26 Oct 2026, 9:45:15 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 640482
Run time 56 min 43 sec
CPU time 53 min 57 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,524.84 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 711.42 MB
Peak swap size 6.53 GB
Peak disk usage 4.09 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
04:48:48 (15292): wrapper (7.9.26016): starting
04:48:48 (15292): 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
04:48:51 (15292): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:48:51 (15292): 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\7\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\7\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
05:44:20 (15292): C:/Windows/system32/cmd.exe exited; CPU time 3237.593750
05:44:20 (15292): 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: 52606879 bytes.
Dumping objects ->
{3835319} normal block at 0x0000021DE15F9E30, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835308} normal block at 0x0000021DE15F9D50, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835297} normal block at 0x0000021DE15F9EA0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835286} normal block at 0x0000021DDF8D2BE0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835275} normal block at 0x0000021DDF8D2B70, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835244} normal block at 0x0000021DE159B0C0, 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) : {3835231} normal block at 0x0000021DDF8CD4A0, 8 bytes long.
 Data: <  &#220;&#223;    > 00 00 DC DF 1D 02 00 00 
{3833951} normal block at 0x0000021DDF8CD4F0, 8 bytes long.
 Data: < &#213;K&#225;    > 20 D5 4B E1 1D 02 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x0000021DDF8CEE30, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000021DDF8C5C00, 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 0x0000021DDF8D3BB0, 16 bytes long.
 Data: <&#248;1 &#223;            > F8 31 8D DF 1D 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000021DDF8D40B0, 16 bytes long.
 Data: <&#208;1 &#223;            > D0 31 8D DF 1D 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000021DDF8CDF00, 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 0x0000021DDF8D3C00, 16 bytes long.
 Data: <&#168;1 &#223;            > A8 31 8D DF 1D 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000021DDF8D3CA0, 16 bytes long.
 Data: < 1 &#223;            > 80 31 8D DF 1D 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000021DDF8D3AC0, 16 bytes long.
 Data: <X1 &#223;            > 58 31 8D DF 1D 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000021DDF8D3E80, 16 bytes long.
 Data: <01 &#223;            > 30 31 8D DF 1D 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000021DDF8D2CC0, 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 0x0000021DDF8D38E0, 16 bytes long.
 Data: < &#198;&#139;&#223;            > 08 C6 8B DF 1D 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000021DDF8CDFC0, 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 0x0000021DDF8D34D0, 16 bytes long.
 Data: <&#224;&#197;&#139;&#223;            > E0 C5 8B DF 1D 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000021DDF8D33E0, 16 bytes long.
 Data: <&#184;&#197;&#139;&#223;            > B8 C5 8B DF 1D 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000021DDF8D3C50, 16 bytes long.
 Data: < &#197;&#139;&#223;            > 90 C5 8B DF 1D 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000021DDF8D3430, 16 bytes long.
 Data: <h&#197;&#139;&#223;            > 68 C5 8B DF 1D 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000021DDF8D3B60, 16 bytes long.
 Data: <@&#197;&#139;&#223;            > 40 C5 8B DF 1D 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000021DDF8D3E30, 16 bytes long.
 Data: < &#197;&#139;&#223;            > 18 C5 8B DF 1D 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000021DDF8CE5C0, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{273} normal block at 0x0000021DDF8D3390, 16 bytes long.
 Data: <&#240;&#196;&#139;&#223;            > F0 C4 8B DF 1D 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000021DDF8BC4F0, 320 bytes long.
 Data: < 3 &#223;    &#192;&#229;&#140;&#223;    > 90 33 8D DF 1D 02 00 00 C0 E5 8C DF 1D 02 00 00 
{271} normal block at 0x0000021DDF8D3340, 16 bytes long.
 Data: < 1 &#223;            > 10 31 8D DF 1D 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000021DDF8D3520, 16 bytes long.
 Data: <&#232;0 &#223;            > E8 30 8D DF 1D 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000021DDF8CE0E0, 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 0x0000021DDF8D3660, 16 bytes long.
 Data: <&#192;0 &#223;            > C0 30 8D DF 1D 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000021DDF8CE620, 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 0x0000021DDF8D3750, 16 bytes long.
 Data: < 0 &#223;            > 08 30 8D DF 1D 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000021DDF8D3FC0, 16 bytes long.
 Data: <&#224;/ &#223;            > E0 2F 8D DF 1D 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000021DDF8D3700, 16 bytes long.
 Data: <&#184;/ &#223;            > B8 2F 8D DF 1D 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000021DDF8CCC30, 16 bytes long.
 Data: < / &#223;            > 90 2F 8D DF 1D 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000021DDF8CCBE0, 16 bytes long.
 Data: <h/ &#223;            > 68 2F 8D DF 1D 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000021DDF8CD270, 16 bytes long.
 Data: <@/ &#223;            > 40 2F 8D DF 1D 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000021DDF8CCB90, 16 bytes long.
 Data: <&#160;- &#223;            > A0 2D 8D DF 1D 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000021DDF8D2DA0, 40 bytes long.
 Data: < &#203;&#140;&#223;    &#192;&#176;Y&#225;    > 90 CB 8C DF 1D 02 00 00 C0 B0 59 E1 1D 02 00 00 
{257} normal block at 0x0000021DDF8CD090, 16 bytes long.
 Data: < / &#223;            > 20 2F 8D DF 1D 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000021DDF8CCAF0, 16 bytes long.
 Data: <&#248;. &#223;            > F8 2E 8D DF 1D 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000021DDF8CDF60, 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 0x0000021DDF8CCA50, 16 bytes long.
 Data: <&#208;. &#223;            > D0 2E 8D DF 1D 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000021DDF8D2ED0, 992 bytes long.
 Data: <P&#202;&#140;&#223;    `&#223;&#140;&#223;    > 50 CA 8C DF 1D 02 00 00 60 DF 8C DF 1D 02 00 00 
{89} normal block at 0x0000021DDF8CD8A0, 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 0x0000021DDF8CC870, 16 bytes long.
 Data: <`( &#223;            > 60 28 8D DF 1D 02 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x0000021DDF8D2860, 40 bytes long.
 Data: <p&#200;&#140;&#223;    &#160;&#216;&#140;&#223;    > 70 C8 8C DF 1D 02 00 00 A0 D8 8C DF 1D 02 00 00 
{66} normal block at 0x0000021DDF8CD680, 16 bytes long.
 Data: < &#234;q&#206;&#247;           > 80 EA 71 CE F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000021DDF8CCE60, 16 bytes long.
 Data: <@&#233;q&#206;&#247;           > 40 E9 71 CE F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000021DDF8CCAA0, 16 bytes long.
 Data: <&#248;Wn&#206;&#247;           > F8 57 6E CE F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000021DDF8CD6D0, 16 bytes long.
 Data: <&#216;Wn&#206;&#247;           > D8 57 6E CE F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000021DDF8CCE10, 16 bytes long.
 Data: <P n&#206;&#247;           > 50 04 6E CE F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000021DDF8CD0E0, 16 bytes long.
 Data: <0 n&#206;&#247;           > 30 04 6E CE F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000021DDF8CD3B0, 16 bytes long.
 Data: <&#224; n&#206;&#247;           > E0 02 6E CE F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000021DDF8CCF50, 16 bytes long.
 Data: <  n&#206;&#247;           > 10 04 6E CE F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000021DDF8CCC80, 16 bytes long.
 Data: <p n&#206;&#247;           > 70 04 6E CE F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000021DDF8CC820, 16 bytes long.
 Data: < &#192;l&#206;&#247;           > 18 C0 6C CE F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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