Task 38682603

Name test_859-GPUGRID_TEST_ATM_40STEP_20261023-28-40-RND2317_0
Workunit 31624207
Created 27 Oct 2026, 8:21:51 UTC
Sent 27 Oct 2026, 8:21:55 UTC
Report deadline 1 Nov 2026, 8:21:55 UTC
Received 27 Oct 2026, 8:43:03 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 650591
Run time 20 min
CPU time 18 min 48 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 32,075.31 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 751.88 MB
Peak swap size 12.97 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
09:23:08 (2188): wrapper (7.9.26016): starting
09:23:08 (2188): 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
09:23:09 (2188): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:23:09 (2188): 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 'G:\BOINC\DATA\slots\28\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 'G:\BOINC\DATA\slots\28\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
09:42:17 (2188): C:/Windows/system32/cmd.exe exited; CPU time 1128.812500
09:42:17 (2188): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 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: 19127437 bytes.
Dumping objects ->
{3835187} normal block at 0x000001BE1E256530, 48 bytes long.
 Data: <PATH=G:\BOINC\DA> 50 41 54 48 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41 
{3835176} normal block at 0x000001BE20040F90, 32 bytes long.
 Data: <HOME=G:\BOINC\DA> 48 4F 4D 45 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41 
{3835165} normal block at 0x000001BE20041950, 32 bytes long.
 Data: <TMP=G:\BOINC\DAT> 54 4D 50 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41 54 
{3835154} normal block at 0x000001BE200412F0, 32 bytes long.
 Data: <TEMP=G:\BOINC\DA> 54 45 4D 50 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41 
{3835143} normal block at 0x000001BE200416B0, 32 bytes long.
 Data: <TMPDIR=G:\BOINC\> 54 4D 50 44 49 52 3D 47 3A 5C 42 4F 49 4E 43 5C 
{3835112} normal block at 0x000001BE1E2564C0, 48 bytes long.
 Data: <PATH=G:\BOINC\DA> 50 41 54 48 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41 
..\api\boinc_api.cpp(309) : {3835099} normal block at 0x000001BE1E24DD50, 8 bytes long.
 Data: <  " &#190;   > 00 00 22 1E BE 01 00 00 
{3833951} normal block at 0x000001BE1E24DC60, 8 bytes long.
 Data: <&#176;`  &#190;   > B0 60 08 20 BE 01 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000001BE1E251850, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001BE1E245F00, 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 0x000001BE1E255010, 16 bytes long.
 Data: < _% &#190;           > 88 5F 25 1E BE 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001BE1E255970, 16 bytes long.
 Data: <`_% &#190;           > 60 5F 25 1E BE 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001BE1E24ED60, 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 0x000001BE1E255650, 16 bytes long.
 Data: <8_% &#190;           > 38 5F 25 1E BE 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001BE1E255600, 16 bytes long.
 Data: < _% &#190;           > 10 5F 25 1E BE 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001BE1E255510, 16 bytes long.
 Data: <&#232;^% &#190;           > E8 5E 25 1E BE 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001BE1E2555B0, 16 bytes long.
 Data: <&#192;^% &#190;           > C0 5E 25 1E BE 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001BE1E256290, 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 0x000001BE1E254F20, 16 bytes long.
 Data: <&#216;&#142;$ &#190;           > D8 8E 24 1E BE 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001BE1E24EC40, 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 0x000001BE1E254ED0, 16 bytes long.
 Data: <&#176;&#142;$ &#190;           > B0 8E 24 1E BE 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001BE1E255560, 16 bytes long.
 Data: < &#142;$ &#190;           > 88 8E 24 1E BE 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001BE1E2551A0, 16 bytes long.
 Data: <`&#142;$ &#190;           > 60 8E 24 1E BE 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001BE1E254CF0, 16 bytes long.
 Data: <8&#142;$ &#190;           > 38 8E 24 1E BE 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001BE1E254FC0, 16 bytes long.
 Data: < &#142;$ &#190;           > 10 8E 24 1E BE 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001BE1E255420, 16 bytes long.
 Data: <&#232;&#141;$ &#190;           > E8 8D 24 1E BE 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001BE1E24F120, 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 0x000001BE1E2551F0, 16 bytes long.
 Data: <&#192;&#141;$ &#190;           > C0 8D 24 1E BE 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001BE1E248DC0, 320 bytes long.
 Data: <&#240;Q% &#190;    &#241;$ &#190;   > F0 51 25 1E BE 01 00 00 20 F1 24 1E BE 01 00 00 
{271} normal block at 0x000001BE1E254F70, 16 bytes long.
 Data: <&#160;^% &#190;           > A0 5E 25 1E BE 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001BE1E254E30, 16 bytes long.
 Data: <x^% &#190;           > 78 5E 25 1E BE 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001BE1E24F420, 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 0x000001BE1E255150, 16 bytes long.
 Data: <P^% &#190;           > 50 5E 25 1E BE 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001BE1E24F1E0, 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 0x000001BE1E254CA0, 16 bytes long.
 Data: < ]% &#190;           > 98 5D 25 1E BE 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001BE1E255880, 16 bytes long.
 Data: <p]% &#190;           > 70 5D 25 1E BE 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001BE1E254DE0, 16 bytes long.
 Data: <H]% &#190;           > 48 5D 25 1E BE 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001BE1E255BA0, 16 bytes long.
 Data: < ]% &#190;           > 20 5D 25 1E BE 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001BE1E2558D0, 16 bytes long.
 Data: <&#248;\% &#190;           > F8 5C 25 1E BE 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001BE1E254D90, 16 bytes long.
 Data: <&#208;\% &#190;           > D0 5C 25 1E BE 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001BE1E255B50, 16 bytes long.
 Data: <0&#203;# &#190;           > 30 CB 23 1E BE 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001BE1E23CB30, 40 bytes long.
 Data: <P[% &#190;   &#192;d% &#190;   > 50 5B 25 1E BE 01 00 00 C0 64 25 1E BE 01 00 00 
{257} normal block at 0x000001BE1E2556A0, 16 bytes long.
 Data: <&#176;\% &#190;           > B0 5C 25 1E BE 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001BE1E254E80, 16 bytes long.
 Data: < \% &#190;           > 88 5C 25 1E BE 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001BE1E24F0C0, 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 0x000001BE1E255AB0, 16 bytes long.
 Data: <`\% &#190;           > 60 5C 25 1E BE 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001BE1E255C60, 992 bytes long.
 Data: <&#176;Z% &#190;   &#192;&#240;$ &#190;   > B0 5A 25 1E BE 01 00 00 C0 F0 24 1E BE 01 00 00 
{89} normal block at 0x000001BE1E24FA20, 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 0x000001BE1E24D080, 16 bytes long.
 Data: < &#225;# &#190;           > 00 E1 23 1E BE 01 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x000001BE1E23E100, 40 bytes long.
 Data: < &#208;$ &#190;    &#250;$ &#190;   > 80 D0 24 1E BE 01 00 00 20 FA 24 1E BE 01 00 00 
{66} normal block at 0x000001BE1E24DCB0, 16 bytes long.
 Data: < &#234;O &#246;           > 80 EA 4F 1F F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001BE1E24DF30, 16 bytes long.
 Data: <@&#233;O &#246;           > 40 E9 4F 1F F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001BE1E24D3A0, 16 bytes long.
 Data: <&#248;WL &#246;           > F8 57 4C 1F F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001BE1E24D7B0, 16 bytes long.
 Data: <&#216;WL &#246;           > D8 57 4C 1F F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001BE1E24DC10, 16 bytes long.
 Data: <P L &#246;           > 50 04 4C 1F F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001BE1E24D1C0, 16 bytes long.
 Data: <0 L &#246;           > 30 04 4C 1F F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001BE1E24D170, 16 bytes long.
 Data: <&#224; L &#246;           > E0 02 4C 1F F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001BE1E24DBC0, 16 bytes long.
 Data: <  L &#246;           > 10 04 4C 1F F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001BE1E24DB70, 16 bytes long.
 Data: <p L &#246;           > 70 04 4C 1F F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001BE1E24D030, 16 bytes long.
 Data: < &#192;J &#246;           > 18 C0 4A 1F F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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