Task 38655299

Name test_248-GPUGRID_TEST_ATM_40STEP_20261023-3-40-RND2980_2
Workunit 31599006
Created 24 Oct 2026, 9:29:00 UTC
Sent 24 Oct 2026, 9:29:14 UTC
Report deadline 29 Oct 2026, 9:29:14 UTC
Received 24 Oct 2026, 10:10:31 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 156955
Run time 37 min 18 sec
CPU time 32 min 48 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 22,242.34 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 715.23 MB
Peak swap size 8.48 GB
Peak disk usage 3.51 GB

Stderr output

<core_client_version>7.24.1</core_client_version>
<![CDATA[
<stderr_txt>
11:35:04 (20264): wrapper (7.9.26016): starting
11:35:04 (20264): 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
11:35:09 (20264): Library/usr/bin/tar.exe exited; CPU time 0.015625
11:35:09 (20264): 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 'D:\Boinc_data\slots\10\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 'D:\Boinc_data\slots\10\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
12:08:59 (20264): C:/Windows/system32/cmd.exe exited; CPU time 1968.203125
12:08:59 (20264): called boinc_finish(0)
0 bytes in 0 Free Blocks.
380 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: 43969825 bytes.
Dumping objects ->
{3835307} normal block at 0x0000024F4DD26760, 48 bytes long.
 Data: <PATH=D:\Boinc_da> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 5F 64 61 
{3835296} normal block at 0x0000024F4FA24150, 32 bytes long.
 Data: <HOME=D:\Boinc_da> 48 4F 4D 45 3D 44 3A 5C 42 6F 69 6E 63 5F 64 61 
{3835285} normal block at 0x0000024F4FA23430, 32 bytes long.
 Data: <TMP=D:\Boinc_dat> 54 4D 50 3D 44 3A 5C 42 6F 69 6E 63 5F 64 61 74 
{3835274} normal block at 0x0000024F4FA245D0, 32 bytes long.
 Data: <TEMP=D:\Boinc_da> 54 45 4D 50 3D 44 3A 5C 42 6F 69 6E 63 5F 64 61 
{3835263} normal block at 0x0000024F4FA233D0, 32 bytes long.
 Data: <TMPDIR=D:\Boinc_> 54 4D 50 44 49 52 3D 44 3A 5C 42 6F 69 6E 63 5F 
{3835232} normal block at 0x0000024F4DD26ED0, 48 bytes long.
 Data: <PATH=D:\Boinc_da> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 5F 64 61 
{3835221} normal block at 0x0000024F4F9EDF80, 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) : {3835218} normal block at 0x0000024F4DCF79D0, 8 bytes long.
 Data: <  &#197;MO   > 00 00 C5 4D 4F 02 00 00 
{3834570} normal block at 0x0000024F4F9EDED0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x0000024F4DCF77F0, 8 bytes long.
 Data: <&#192;&#138; OO   > C0 8A A2 4F 4F 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000024F4DD01A80, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000024F4DCFD660, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x0000024F4DD03060, 16 bytes long.
 Data: <&#168;A&#208;MO           > A8 41 D0 4D 4F 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000024F4DD03010, 16 bytes long.
 Data: < A&#208;MO           > 80 41 D0 4D 4F 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000024F4DCFC8A0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x0000024F4DD036A0, 16 bytes long.
 Data: <XA&#208;MO           > 58 41 D0 4D 4F 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000024F4DD03650, 16 bytes long.
 Data: <0A&#208;MO           > 30 41 D0 4D 4F 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000024F4DD02F70, 16 bytes long.
 Data: < A&#208;MO           > 08 41 D0 4D 4F 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000024F4DD03100, 16 bytes long.
 Data: <&#224;@&#208;MO           > E0 40 D0 4D 4F 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000024F4DCFDE70, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x0000024F4DD03600, 16 bytes long.
 Data: <X)&#208;MO           > 58 29 D0 4D 4F 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000024F4DCFBF40, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x0000024F4DD030B0, 16 bytes long.
 Data: <0)&#208;MO           > 30 29 D0 4D 4F 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000024F4DD02ED0, 16 bytes long.
 Data: < )&#208;MO           > 08 29 D0 4D 4F 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000024F4DD035B0, 16 bytes long.
 Data: <&#224;(&#208;MO           > E0 28 D0 4D 4F 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000024F4DD037E0, 16 bytes long.
 Data: <&#184;(&#208;MO           > B8 28 D0 4D 4F 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000024F4DD03560, 16 bytes long.
 Data: < (&#208;MO           > 90 28 D0 4D 4F 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000024F4DD02E80, 16 bytes long.
 Data: <h(&#208;MO           > 68 28 D0 4D 4F 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000024F4DCFC600, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x0000024F4DD03470, 16 bytes long.
 Data: <@(&#208;MO           > 40 28 D0 4D 4F 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000024F4DD02840, 320 bytes long.
 Data: <p4&#208;MO    &#198;&#207;MO   > 70 34 D0 4D 4F 02 00 00 00 C6 CF 4D 4F 02 00 00 
{274} normal block at 0x0000024F4DD03420, 16 bytes long.
 Data: <&#192;@&#208;MO           > C0 40 D0 4D 4F 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000024F4DD031A0, 16 bytes long.
 Data: < @&#208;MO           > 98 40 D0 4D 4F 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000024F4DCFBDC0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x0000024F4DD039C0, 16 bytes long.
 Data: <p@&#208;MO           > 70 40 D0 4D 4F 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000024F4DCFC840, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x0000024F4DD03150, 16 bytes long.
 Data: <&#184;?&#208;MO           > B8 3F D0 4D 4F 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000024F4DD03A10, 16 bytes long.
 Data: < ?&#208;MO           > 90 3F D0 4D 4F 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000024F4DD034C0, 16 bytes long.
 Data: <h?&#208;MO           > 68 3F D0 4D 4F 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000024F4DD033D0, 16 bytes long.
 Data: <@?&#208;MO           > 40 3F D0 4D 4F 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000024F4DD02D40, 16 bytes long.
 Data: < ?&#208;MO           > 18 3F D0 4D 4F 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000024F4DD03920, 16 bytes long.
 Data: <&#240;>&#208;MO           > F0 3E D0 4D 4F 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000024F4DD02E30, 16 bytes long.
 Data: < &#222;&#207;MO           > 00 DE CF 4D 4F 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000024F4DCFDE00, 40 bytes long.
 Data: <0.&#208;MO   &#208;n&#210;MO   > 30 2E D0 4D 4F 02 00 00 D0 6E D2 4D 4F 02 00 00 
{260} normal block at 0x0000024F4DD032E0, 16 bytes long.
 Data: <&#208;>&#208;MO           > D0 3E D0 4D 4F 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000024F4DD02B60, 16 bytes long.
 Data: <&#168;>&#208;MO           > A8 3E D0 4D 4F 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000024F4DCFC120, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x0000024F4DD03510, 16 bytes long.
 Data: < >&#208;MO           > 80 3E D0 4D 4F 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000024F4DD03E80, 992 bytes long.
 Data: < 5&#208;MO    &#193;&#207;MO   > 10 35 D0 4D 4F 02 00 00 20 C1 CF 4D 4F 02 00 00 
{92} normal block at 0x0000024F4DCFBA00, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x0000024F4DCF77A0, 16 bytes long.
 Data: < &#221;&#207;MO           > 90 DD CF 4D 4F 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x0000024F4DCFDD90, 40 bytes long.
 Data: <&#160;w&#207;MO    &#186;&#207;MO   > A0 77 CF 4D 4F 02 00 00 00 BA CF 4D 4F 02 00 00 
{69} normal block at 0x0000024F4DCF7020, 16 bytes long.
 Data: < &#234;&#148;&#191;&#246;           > 80 EA 94 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000024F4DCF7250, 16 bytes long.
 Data: <@&#233;&#148;&#191;&#246;           > 40 E9 94 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000024F4DCF6FD0, 16 bytes long.
 Data: <&#248;W&#145;&#191;&#246;           > F8 57 91 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000024F4DCF7200, 16 bytes long.
 Data: <&#216;W&#145;&#191;&#246;           > D8 57 91 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000024F4DCF76B0, 16 bytes long.
 Data: <P &#145;&#191;&#246;           > 50 04 91 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000024F4DCF6F80, 16 bytes long.
 Data: <0 &#145;&#191;&#246;           > 30 04 91 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000024F4DCF6F30, 16 bytes long.
 Data: <&#224; &#145;&#191;&#246;           > E0 02 91 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000024F4DCF7A70, 16 bytes long.
 Data: <  &#145;&#191;&#246;           > 10 04 91 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000024F4DCF6EE0, 16 bytes long.
 Data: <p &#145;&#191;&#246;           > 70 04 91 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000024F4DCF7980, 16 bytes long.
 Data: < &#192;&#143;&#191;&#246;           > 18 C0 8F BF F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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