Task 38697197

Name test_259-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND0641_0
Workunit 31637783
Created 1 Nov 2026, 10:33:54 UTC
Sent 1 Nov 2026, 10:33:56 UTC
Report deadline 6 Nov 2026, 10:33:56 UTC
Received 2 Nov 2026, 7:08:51 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 549691
Run time 40 min 10 sec
CPU time 40 min 10 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,142.82 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 688.99 MB
Peak swap size 6.75 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
07:51:39 (17780): wrapper (7.9.26016): starting
07:51:39 (17780): 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
07:51:40 (17780): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:51:40 (17780): 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\0\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\0\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
02:08:16 (17780): C:/Windows/system32/cmd.exe exited; CPU time 2410.187500
02:08:16 (17780): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 Normal Blocks.
2288 bytes in 2 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 1207302959 bytes.
Dumping objects ->
{3835407} normal block at 0x0000022DB26008B0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835396} normal block at 0x0000022DB2600BC0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835385} normal block at 0x0000022DB2600A70, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835374} normal block at 0x0000022DB26012C0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835363} normal block at 0x0000022DB2601250, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835332} normal block at 0x0000022DB26AC7D0, 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) : {3835319} normal block at 0x0000022DB0C17560, 8 bytes long.
 Data: <  &#186;&#176;-   > 00 00 BA B0 2D 02 00 00 
{3833957} normal block at 0x0000022DB0C16BB0, 8 bytes long.
 Data: <@qt&#178;-   > 40 71 74 B2 2D 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000022DB0C21040, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000022DB0C0B020, 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 0x0000022DB0C22AD0, 16 bytes long.
 Data: <&#200;C&#194;&#176;-           > C8 43 C2 B0 2D 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000022DB0C22A80, 16 bytes long.
 Data: <&#160;C&#194;&#176;-           > A0 43 C2 B0 2D 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000022DB0C1E890, 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 0x0000022DB0C22120, 16 bytes long.
 Data: <xC&#194;&#176;-           > 78 43 C2 B0 2D 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000022DB0C223A0, 16 bytes long.
 Data: <PC&#194;&#176;-           > 50 43 C2 B0 2D 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000022DB0C22580, 16 bytes long.
 Data: <(C&#194;&#176;-           > 28 43 C2 B0 2D 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000022DB0C22530, 16 bytes long.
 Data: < C&#194;&#176;-           > 00 43 C2 B0 2D 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000022DB0C1D8C0, 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 0x0000022DB0C22940, 16 bytes long.
 Data: <&#200;`&#192;&#176;-           > C8 60 C0 B0 2D 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000022DB0C1E470, 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 0x0000022DB0C228A0, 16 bytes long.
 Data: <&#160;`&#192;&#176;-           > A0 60 C0 B0 2D 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000022DB0C23020, 16 bytes long.
 Data: <x`&#192;&#176;-           > 78 60 C0 B0 2D 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000022DB0C227B0, 16 bytes long.
 Data: <P`&#192;&#176;-           > 50 60 C0 B0 2D 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000022DB0C22440, 16 bytes long.
 Data: <(`&#192;&#176;-           > 28 60 C0 B0 2D 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000022DB0C22490, 16 bytes long.
 Data: < `&#192;&#176;-           > 00 60 C0 B0 2D 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000022DB0C22FD0, 16 bytes long.
 Data: <&#216;_&#192;&#176;-           > D8 5F C0 B0 2D 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000022DB0C1EE90, 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 0x0000022DB0C22F80, 16 bytes long.
 Data: <&#176;_&#192;&#176;-           > B0 5F C0 B0 2D 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000022DB0C05FB0, 320 bytes long.
 Data: < /&#194;&#176;-    &#238;&#193;&#176;-   > 80 2F C2 B0 2D 02 00 00 90 EE C1 B0 2D 02 00 00 
{274} normal block at 0x0000022DB0C22210, 16 bytes long.
 Data: <&#224;B&#194;&#176;-           > E0 42 C2 B0 2D 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000022DB0C22F30, 16 bytes long.
 Data: <&#184;B&#194;&#176;-           > B8 42 C2 B0 2D 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000022DB0C1E9B0, 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 0x0000022DB0C22DA0, 16 bytes long.
 Data: < B&#194;&#176;-           > 90 42 C2 B0 2D 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000022DB0C1E830, 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 0x0000022DB0C22760, 16 bytes long.
 Data: <&#216;A&#194;&#176;-           > D8 41 C2 B0 2D 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000022DB0C224E0, 16 bytes long.
 Data: <&#176;A&#194;&#176;-           > B0 41 C2 B0 2D 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000022DB0C22C60, 16 bytes long.
 Data: < A&#194;&#176;-           > 88 41 C2 B0 2D 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000022DB0C22260, 16 bytes long.
 Data: <`A&#194;&#176;-           > 60 41 C2 B0 2D 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000022DB0C22BC0, 16 bytes long.
 Data: <8A&#194;&#176;-           > 38 41 C2 B0 2D 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000022DB0C22A30, 16 bytes long.
 Data: < A&#194;&#176;-           > 10 41 C2 B0 2D 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000022DB0C22710, 16 bytes long.
 Data: <&#160;&#217;&#193;&#176;-           > A0 D9 C1 B0 2D 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000022DB0C1D9A0, 40 bytes long.
 Data: < '&#194;&#176;-   &#208;&#199;j&#178;-   > 10 27 C2 B0 2D 02 00 00 D0 C7 6A B2 2D 02 00 00 
{260} normal block at 0x0000022DB0C22B70, 16 bytes long.
 Data: <&#240;@&#194;&#176;-           > F0 40 C2 B0 2D 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000022DB0C22990, 16 bytes long.
 Data: <&#200;@&#194;&#176;-           > C8 40 C2 B0 2D 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000022DB0C1E410, 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 0x0000022DB0C22850, 16 bytes long.
 Data: <&#160;@&#194;&#176;-           > A0 40 C2 B0 2D 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000022DB0C240A0, 992 bytes long.
 Data: <P(&#194;&#176;-    &#228;&#193;&#176;-   > 50 28 C2 B0 2D 02 00 00 10 E4 C1 B0 2D 02 00 00 
{92} normal block at 0x0000022DB0C1E050, 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 0x0000022DB0C17740, 16 bytes long.
 Data: <P&#216;&#193;&#176;-           > 50 D8 C1 B0 2D 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x0000022DB0C1D850, 40 bytes long.
 Data: <@w&#193;&#176;-   P&#224;&#193;&#176;-   > 40 77 C1 B0 2D 02 00 00 50 E0 C1 B0 2D 02 00 00 
{69} normal block at 0x0000022DB0C17150, 16 bytes long.
 Data: < &#234;&#221;j&#246;           > 80 EA DD 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000022DB0C17100, 16 bytes long.
 Data: <@&#233;&#221;j&#246;           > 40 E9 DD 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000022DB0C171F0, 16 bytes long.
 Data: <&#248;W&#218;j&#246;           > F8 57 DA 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000022DB0C17970, 16 bytes long.
 Data: <&#216;W&#218;j&#246;           > D8 57 DA 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000022DB0C17380, 16 bytes long.
 Data: <P &#218;j&#246;           > 50 04 DA 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000022DB0C17330, 16 bytes long.
 Data: <0 &#218;j&#246;           > 30 04 DA 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000022DB0C16E80, 16 bytes long.
 Data: <&#224; &#218;j&#246;           > E0 02 DA 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000022DB0C16D90, 16 bytes long.
 Data: <  &#218;j&#246;           > 10 04 DA 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000022DB0C170B0, 16 bytes long.
 Data: <p &#218;j&#246;           > 70 04 DA 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000022DB0C16F70, 16 bytes long.
 Data: < &#192;&#216;j&#246;           > 18 C0 D8 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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