Task 38687618

Name test_878-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND4542_0
Workunit 31629002
Created 28 Oct 2026, 8:46:25 UTC
Sent 28 Oct 2026, 8:46:27 UTC
Report deadline 2 Nov 2026, 8:46:27 UTC
Received 28 Oct 2026, 11:18:43 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 650754
Run time 56 min 48 sec
CPU time 56 min 38 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,332.26 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 698.52 MB
Peak swap size 9.84 GB
Peak disk usage 3.70 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
10:08:02 (2724): wrapper (7.9.26016): starting
10:08:02 (2724): 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
10:08:03 (2724): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:08:03 (2724): 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:\BOINCdata\slots\1\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:\BOINCdata\slots\1\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
11:04:02 (2724): C:/Windows/system32/cmd.exe exited; CPU time 3398.984375
11:04:02 (2724): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 40142957 bytes.
Dumping objects ->
{3835233} normal block at 0x00000147DC8A5920, 48 bytes long.
 Data: <PATH=C:\BOINCdat> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 64 61 74 
{3835222} normal block at 0x00000147DE663CD0, 32 bytes long.
 Data: <HOME=C:\BOINCdat> 48 4F 4D 45 3D 43 3A 5C 42 4F 49 4E 43 64 61 74 
{3835211} normal block at 0x00000147DE663C70, 32 bytes long.
 Data: <TMP=C:\BOINCdata> 54 4D 50 3D 43 3A 5C 42 4F 49 4E 43 64 61 74 61 
{3835200} normal block at 0x00000147DE6641B0, 32 bytes long.
 Data: <TEMP=C:\BOINCdat> 54 45 4D 50 3D 43 3A 5C 42 4F 49 4E 43 64 61 74 
{3835189} normal block at 0x00000147DE663E50, 32 bytes long.
 Data: <TMPDIR=C:\BOINCd> 54 4D 50 44 49 52 3D 43 3A 5C 42 4F 49 4E 43 64 
{3835158} normal block at 0x00000147DC8A64F0, 48 bytes long.
 Data: <PATH=C:\BOINCdat> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 64 61 74 
{3835147} normal block at 0x00000147DC878F10, 200 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) : {3835144} normal block at 0x00000147DC877110, 8 bytes long.
 Data: <  ~&#220;G   > 00 00 7E DC 47 01 00 00 
{3834547} normal block at 0x00000147DC878AD0, 200 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833947} normal block at 0x00000147DC876E40, 8 bytes long.
 Data: < Un&#222;G   > 00 55 6E DE 47 01 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x00000147DC8813E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000147DC865BC0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{289} normal block at 0x00000147DC882EC0, 16 bytes long.
 Data: <X7 &#220;G           > 58 37 88 DC 47 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000147DC8825B0, 16 bytes long.
 Data: <07 &#220;G           > 30 37 88 DC 47 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000147DC87D6D0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{286} normal block at 0x00000147DC882740, 16 bytes long.
 Data: < 7 &#220;G           > 08 37 88 DC 47 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000147DC8824C0, 16 bytes long.
 Data: <&#224;6 &#220;G           > E0 36 88 DC 47 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000147DC883190, 16 bytes long.
 Data: <&#184;6 &#220;G           > B8 36 88 DC 47 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000147DC8832D0, 16 bytes long.
 Data: < 6 &#220;G           > 90 36 88 DC 47 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000147DC87E610, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{281} normal block at 0x00000147DC883370, 16 bytes long.
 Data: <X[&#134;&#220;G           > 58 5B 86 DC 47 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000147DC87DD90, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{279} normal block at 0x00000147DC8826F0, 16 bytes long.
 Data: <0[&#134;&#220;G           > 30 5B 86 DC 47 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000147DC8830F0, 16 bytes long.
 Data: < [&#134;&#220;G           > 08 5B 86 DC 47 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000147DC8830A0, 16 bytes long.
 Data: <&#224;Z&#134;&#220;G           > E0 5A 86 DC 47 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000147DC882650, 16 bytes long.
 Data: <&#184;Z&#134;&#220;G           > B8 5A 86 DC 47 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000147DC882CE0, 16 bytes long.
 Data: < Z&#134;&#220;G           > 90 5A 86 DC 47 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000147DC882C90, 16 bytes long.
 Data: <hZ&#134;&#220;G           > 68 5A 86 DC 47 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000147DC87E1B0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{271} normal block at 0x00000147DC883280, 16 bytes long.
 Data: <@Z&#134;&#220;G           > 40 5A 86 DC 47 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000147DC865A40, 320 bytes long.
 Data: < 2 &#220;G   &#176;&#225;&#135;&#220;G   > 80 32 88 DC 47 01 00 00 B0 E1 87 DC 47 01 00 00 
{269} normal block at 0x00000147DC8826A0, 16 bytes long.
 Data: <p6 &#220;G           > 70 36 88 DC 47 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000147DC882AB0, 16 bytes long.
 Data: <H6 &#220;G           > 48 36 88 DC 47 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000147DC87E0F0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{266} normal block at 0x00000147DC882E20, 16 bytes long.
 Data: < 6 &#220;G           > 20 36 88 DC 47 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000147DC87DC10, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{264} normal block at 0x00000147DC882600, 16 bytes long.
 Data: <h5 &#220;G           > 68 35 88 DC 47 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000147DC882A60, 16 bytes long.
 Data: <@5 &#220;G           > 40 35 88 DC 47 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000147DC882B50, 16 bytes long.
 Data: < 5 &#220;G           > 18 35 88 DC 47 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000147DC882A10, 16 bytes long.
 Data: <&#240;4 &#220;G           > F0 34 88 DC 47 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000147DC882FB0, 16 bytes long.
 Data: <&#200;4 &#220;G           > C8 34 88 DC 47 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000147DC8833C0, 16 bytes long.
 Data: <&#160;4 &#220;G           > A0 34 88 DC 47 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000147DC882470, 16 bytes long.
 Data: <&#160;&#229;&#135;&#220;G           > A0 E5 87 DC 47 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000147DC87E5A0, 40 bytes long.
 Data: <p$ &#220;G   &#240;d&#138;&#220;G   > 70 24 88 DC 47 01 00 00 F0 64 8A DC 47 01 00 00 
{255} normal block at 0x00000147DC882C40, 16 bytes long.
 Data: < 4 &#220;G           > 80 34 88 DC 47 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x00000147DC882510, 16 bytes long.
 Data: <X4 &#220;G           > 58 34 88 DC 47 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x00000147DC87E030, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{252} normal block at 0x00000147DC8829C0, 16 bytes long.
 Data: <04 &#220;G           > 30 34 88 DC 47 01 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x00000147DC883430, 992 bytes long.
 Data: <&#192;) &#220;G   0&#224;&#135;&#220;G   > C0 29 88 DC 47 01 00 00 30 E0 87 DC 47 01 00 00 
{87} normal block at 0x00000147DC87D790, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{86} normal block at 0x00000147DC876FD0, 16 bytes long.
 Data: <&#192;&#228;&#135;&#220;G           > C0 E4 87 DC 47 01 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x00000147DC87E4C0, 40 bytes long.
 Data: <&#208;o&#135;&#220;G    &#215;&#135;&#220;G   > D0 6F 87 DC 47 01 00 00 90 D7 87 DC 47 01 00 00 
{64} normal block at 0x00000147DC876350, 16 bytes long.
 Data: < &#234;#&#135;&#247;           > 80 EA 23 87 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000147DC876CB0, 16 bytes long.
 Data: <@&#233;#&#135;&#247;           > 40 E9 23 87 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000147DC876C10, 16 bytes long.
 Data: <&#248;W &#135;&#247;           > F8 57 20 87 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000147DC876710, 16 bytes long.
 Data: <&#216;W &#135;&#247;           > D8 57 20 87 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000147DC876940, 16 bytes long.
 Data: <P  &#135;&#247;           > 50 04 20 87 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000147DC876300, 16 bytes long.
 Data: <0  &#135;&#247;           > 30 04 20 87 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000147DC8766C0, 16 bytes long.
 Data: <&#224;  &#135;&#247;           > E0 02 20 87 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000147DC876BC0, 16 bytes long.
 Data: <   &#135;&#247;           > 10 04 20 87 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x00000147DC876DA0, 16 bytes long.
 Data: <p  &#135;&#247;           > 70 04 20 87 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x00000147DC876F30, 16 bytes long.
 Data: < &#192; &#135;&#247;           > 18 C0 1E 87 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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