Task 38684662

Name test_809-GPUGRID_TEST_ATM_40STEP_20261023-13-40-RND3938_0
Workunit 31626169
Created 27 Oct 2026, 17:23:11 UTC
Sent 27 Oct 2026, 17:23:16 UTC
Report deadline 1 Nov 2026, 17:23:16 UTC
Received 28 Oct 2026, 14:03:25 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 653700
Run time 45 min 44 sec
CPU time 41 min 53 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,956.20 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 722.82 MB
Peak swap size 5.36 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.13</core_client_version>
<![CDATA[
<stderr_txt>
14:17:35 (31100): wrapper (7.9.26016): starting
14:17:35 (31100): 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
14:17:36 (31100): Library/usr/bin/tar.exe exited; CPU time 0.015625
14:17:36 (31100): 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\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 'C:\ProgramData\BOINC\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
15:02:56 (31100): C:/Windows/system32/cmd.exe exited; CPU time 2513.187500
15:02:56 (31100): 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: 59467947 bytes.
Dumping objects ->
{3835277} normal block at 0x0000019492897490, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835266} normal block at 0x0000019492897960, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835255} normal block at 0x0000019492898140, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835244} normal block at 0x0000019492897570, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835233} normal block at 0x0000019490C27050, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835202} normal block at 0x000001949289F270, 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) : {3835189} normal block at 0x0000019490C1C380, 8 bytes long.
 Data: <   &#145;&#148;   > 00 00 01 91 94 01 00 00 
{3833985} normal block at 0x0000019490C1C240, 8 bytes long.
 Data: < &#195;&#147;&#146;&#148;   > 10 C3 93 92 94 01 00 00 
..\zip\boinc_zip.cpp(122) : {324} normal block at 0x0000019490C21640, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{309} normal block at 0x0000019490C18830, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{308} normal block at 0x0000019490C27F10, 16 bytes long.
 Data: <8&#139;&#194; &#148;           > 38 8B C2 90 94 01 00 00 00 00 00 00 00 00 00 00 
{307} normal block at 0x0000019490C27D30, 16 bytes long.
 Data: < &#139;&#194; &#148;           > 10 8B C2 90 94 01 00 00 00 00 00 00 00 00 00 00 
{306} normal block at 0x0000019490C23B20, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{305} normal block at 0x0000019490C276A0, 16 bytes long.
 Data: <&#232;&#138;&#194; &#148;           > E8 8A C2 90 94 01 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x0000019490C27790, 16 bytes long.
 Data: <&#192;&#138;&#194; &#148;           > C0 8A C2 90 94 01 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x0000019490C27CE0, 16 bytes long.
 Data: < &#138;&#194; &#148;           > 98 8A C2 90 94 01 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x0000019490C27970, 16 bytes long.
 Data: <p&#138;&#194; &#148;           > 70 8A C2 90 94 01 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000019490C27520, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{300} normal block at 0x0000019490C28050, 16 bytes long.
 Data: <( &#193; &#148;           > 28 07 C1 90 94 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000019490C23A60, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{298} normal block at 0x0000019490C27BF0, 16 bytes long.
 Data: <  &#193; &#148;           > 00 07 C1 90 94 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000019490C27740, 16 bytes long.
 Data: <&#216; &#193; &#148;           > D8 06 C1 90 94 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000019490C283C0, 16 bytes long.
 Data: <&#176; &#193; &#148;           > B0 06 C1 90 94 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000019490C280A0, 16 bytes long.
 Data: <  &#193; &#148;           > 88 06 C1 90 94 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000019490C27C40, 16 bytes long.
 Data: <` &#193; &#148;           > 60 06 C1 90 94 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000019490C28000, 16 bytes long.
 Data: <8 &#193; &#148;           > 38 06 C1 90 94 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000019490C23F40, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{290} normal block at 0x0000019490C27E70, 16 bytes long.
 Data: <  &#193; &#148;           > 10 06 C1 90 94 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000019490C10610, 320 bytes long.
 Data: <p~&#194; &#148;   @?&#194; &#148;   > 70 7E C2 90 94 01 00 00 40 3F C2 90 94 01 00 00 
{288} normal block at 0x0000019490C27B50, 16 bytes long.
 Data: <P&#138;&#194; &#148;           > 50 8A C2 90 94 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000019490C28230, 16 bytes long.
 Data: <(&#138;&#194; &#148;           > 28 8A C2 90 94 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000019490C23700, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{285} normal block at 0x0000019490C27FB0, 16 bytes long.
 Data: < &#138;&#194; &#148;           > 00 8A C2 90 94 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000019490C23E80, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{283} normal block at 0x0000019490C27920, 16 bytes long.
 Data: <H&#137;&#194; &#148;           > 48 89 C2 90 94 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000019490C28370, 16 bytes long.
 Data: < &#137;&#194; &#148;           > 20 89 C2 90 94 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000019490C27880, 16 bytes long.
 Data: <&#248; &#194; &#148;           > F8 88 C2 90 94 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000019490C27DD0, 16 bytes long.
 Data: <&#208; &#194; &#148;           > D0 88 C2 90 94 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000019490C27C90, 16 bytes long.
 Data: <&#168; &#194; &#148;           > A8 88 C2 90 94 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000019490C28410, 16 bytes long.
 Data: <  &#194; &#148;           > 80 88 C2 90 94 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000019490C27AB0, 16 bytes long.
 Data: < n&#194; &#148;           > 90 6E C2 90 94 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000019490C26E90, 40 bytes long.
 Data: <&#176;z&#194; &#148;   p&#242;&#137;&#146;&#148;   > B0 7A C2 90 94 01 00 00 70 F2 89 92 94 01 00 00 
{274} normal block at 0x0000019490C27F60, 16 bytes long.
 Data: <` &#194; &#148;           > 60 88 C2 90 94 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000019490C28460, 16 bytes long.
 Data: <8 &#194; &#148;           > 38 88 C2 90 94 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000019490C24300, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{271} normal block at 0x0000019490C285F0, 16 bytes long.
 Data: <  &#194; &#148;           > 10 88 C2 90 94 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000019490C28810, 992 bytes long.
 Data: <&#240;&#133;&#194; &#148;    C&#194; &#148;   > F0 85 C2 90 94 01 00 00 00 43 C2 90 94 01 00 00 
{106} normal block at 0x0000019490C24180, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{105} normal block at 0x0000019490C1C1F0, 16 bytes long.
 Data: <@t&#194; &#148;           > 40 74 C2 90 94 01 00 00 00 00 00 00 00 00 00 00 
{104} normal block at 0x0000019490C27440, 40 bytes long.
 Data: <&#240;&#193;&#193; &#148;    A&#194; &#148;   > F0 C1 C1 90 94 01 00 00 80 41 C2 90 94 01 00 00 
{83} normal block at 0x0000019490C1C150, 16 bytes long.
 Data: < &#234;D&#147;&#247;           > 80 EA 44 93 F7 7F 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x0000019490C1CD30, 16 bytes long.
 Data: <@&#233;D&#147;&#247;           > 40 E9 44 93 F7 7F 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x0000019490C1C4C0, 16 bytes long.
 Data: <&#248;WA&#147;&#247;           > F8 57 41 93 F7 7F 00 00 00 00 00 00 00 00 00 00 
{80} normal block at 0x0000019490C1C470, 16 bytes long.
 Data: <&#216;WA&#147;&#247;           > D8 57 41 93 F7 7F 00 00 00 00 00 00 00 00 00 00 
{79} normal block at 0x0000019490C1CA60, 16 bytes long.
 Data: <P A&#147;&#247;           > 50 04 41 93 F7 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x0000019490C1C9C0, 16 bytes long.
 Data: <0 A&#147;&#247;           > 30 04 41 93 F7 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x0000019490C1C2E0, 16 bytes long.
 Data: <&#224; A&#147;&#247;           > E0 02 41 93 F7 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x0000019490C1C6F0, 16 bytes long.
 Data: <  A&#147;&#247;           > 10 04 41 93 F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x0000019490C1C600, 16 bytes long.
 Data: <p A&#147;&#247;           > 70 04 41 93 F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x0000019490C1CBF0, 16 bytes long.
 Data: < &#192;?&#147;&#247;           > 18 C0 3F 93 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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