Task 38683619

Name test_863-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND9145_0
Workunit 31625170
Created 27 Oct 2026, 12:34:51 UTC
Sent 27 Oct 2026, 12:34:58 UTC
Report deadline 1 Nov 2026, 12:34:58 UTC
Received 27 Oct 2026, 14:06:45 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 653700
Run time 45 min 47 sec
CPU time 41 min 16 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 707.53 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>
14:21:46 (33516): wrapper (7.9.26016): starting
14:21:46 (33516): 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
14:21:48 (33516): Library/usr/bin/tar.exe exited; CPU time 0.015625
14:21:48 (33516): 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
15:06:05 (33516): C:/Windows/system32/cmd.exe exited; CPU time 2476.906250
15:06:05 (33516): 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: 55000161 bytes.
Dumping objects ->
{3835277} normal block at 0x000001CC89E176C0, 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 0x000001CC89E17F10, 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 0x000001CC89E178F0, 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 0x000001CC89E17E30, 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 0x000001CC881972F0, 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 0x000001CC89E1F7F0, 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 0x000001CC8818CCE0, 8 bytes long.
 Data: <  b &#204;   > 00 00 62 88 CC 01 00 00 
{3833985} normal block at 0x000001CC8818CC90, 8 bytes long.
 Data: < &#195;&#235;&#137;&#204;   > 10 C3 EB 89 CC 01 00 00 
..\zip\boinc_zip.cpp(122) : {324} normal block at 0x000001CC88191280, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{309} normal block at 0x000001CC88188A70, 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 0x000001CC88197D30, 16 bytes long.
 Data: <8&#139;  &#204;           > 38 8B 19 88 CC 01 00 00 00 00 00 00 00 00 00 00 
{307} normal block at 0x000001CC88197CE0, 16 bytes long.
 Data: < &#139;  &#204;           > 10 8B 19 88 CC 01 00 00 00 00 00 00 00 00 00 00 
{306} normal block at 0x000001CC88193BE0, 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 0x000001CC88198370, 16 bytes long.
 Data: <&#232;&#138;  &#204;           > E8 8A 19 88 CC 01 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x000001CC88197AB0, 16 bytes long.
 Data: <&#192;&#138;  &#204;           > C0 8A 19 88 CC 01 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x000001CC88198050, 16 bytes long.
 Data: < &#138;  &#204;           > 98 8A 19 88 CC 01 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000001CC88198280, 16 bytes long.
 Data: <p&#138;  &#204;           > 70 8A 19 88 CC 01 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x000001CC88197360, 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 0x000001CC88197E20, 16 bytes long.
 Data: <(   &#204;           > 28 07 18 88 CC 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001CC88193FA0, 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 0x000001CC881976A0, 16 bytes long.
 Data: <    &#204;           > 00 07 18 88 CC 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001CC88197C90, 16 bytes long.
 Data: <&#216;   &#204;           > D8 06 18 88 CC 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001CC881980A0, 16 bytes long.
 Data: <&#176;   &#204;           > B0 06 18 88 CC 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001CC88197E70, 16 bytes long.
 Data: <    &#204;           > 88 06 18 88 CC 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001CC88197740, 16 bytes long.
 Data: <`   &#204;           > 60 06 18 88 CC 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001CC88197C40, 16 bytes long.
 Data: <8   &#204;           > 38 06 18 88 CC 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001CC88193700, 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 0x000001CC881985A0, 16 bytes long.
 Data: <    &#204;           > 10 06 18 88 CC 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001CC88180610, 320 bytes long.
 Data: <&#160;&#133;  &#204;    7  &#204;   > A0 85 19 88 CC 01 00 00 00 37 19 88 CC 01 00 00 
{288} normal block at 0x000001CC88197BA0, 16 bytes long.
 Data: <P&#138;  &#204;           > 50 8A 19 88 CC 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001CC88197EC0, 16 bytes long.
 Data: <(&#138;  &#204;           > 28 8A 19 88 CC 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001CC88193C40, 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 0x000001CC88198460, 16 bytes long.
 Data: < &#138;  &#204;           > 00 8A 19 88 CC 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001CC88193820, 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 0x000001CC881983C0, 16 bytes long.
 Data: <H&#137;  &#204;           > 48 89 19 88 CC 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001CC88198550, 16 bytes long.
 Data: < &#137;  &#204;           > 20 89 19 88 CC 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001CC88198140, 16 bytes long.
 Data: <&#248;   &#204;           > F8 88 19 88 CC 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001CC88197F60, 16 bytes long.
 Data: <&#208;   &#204;           > D0 88 19 88 CC 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001CC88198000, 16 bytes long.
 Data: <&#168;   &#204;           > A8 88 19 88 CC 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001CC88197F10, 16 bytes long.
 Data: <    &#204;           > 80 88 19 88 CC 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001CC88197920, 16 bytes long.
 Data: <&#208;s  &#204;           > D0 73 19 88 CC 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001CC881973D0, 40 bytes long.
 Data: < y  &#204;   &#240;&#247;&#225;&#137;&#204;   > 20 79 19 88 CC 01 00 00 F0 F7 E1 89 CC 01 00 00 
{274} normal block at 0x000001CC88198410, 16 bytes long.
 Data: <`   &#204;           > 60 88 19 88 CC 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001CC88198500, 16 bytes long.
 Data: <8   &#204;           > 38 88 19 88 CC 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001CC88193B80, 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 0x000001CC88198230, 16 bytes long.
 Data: <    &#204;           > 10 88 19 88 CC 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001CC88198810, 992 bytes long.
 Data: <0&#130;  &#204;    ;  &#204;   > 30 82 19 88 CC 01 00 00 80 3B 19 88 CC 01 00 00 
{106} normal block at 0x000001CC881937C0, 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 0x000001CC8818C7E0, 16 bytes long.
 Data: <Pp  &#204;           > 50 70 19 88 CC 01 00 00 00 00 00 00 00 00 00 00 
{104} normal block at 0x000001CC88197050, 40 bytes long.
 Data: <&#224;&#199;  &#204;   &#192;7  &#204;   > E0 C7 18 88 CC 01 00 00 C0 37 19 88 CC 01 00 00 
{83} normal block at 0x000001CC8818BE80, 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 0x000001CC8818C0B0, 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 0x000001CC8818C880, 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 0x000001CC8818C290, 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 0x000001CC8818C740, 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 0x000001CC8818BE30, 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 0x000001CC8818C240, 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 0x000001CC8818C790, 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 0x000001CC8818CA60, 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 0x000001CC8818C830, 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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