Task 38650086

Name test_178-GPUGRID_TEST_ATM_4STEP_20261023-2-4-RND0176_0
Workunit 31594614
Created 23 Oct 2026, 22:42:36 UTC
Sent 23 Oct 2026, 22:51:40 UTC
Report deadline 28 Oct 2026, 22:51:40 UTC
Received 24 Oct 2026, 1:26:11 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 615524
Run time 1 hours 47 min 27 sec
CPU time 1 hours 44 min 56 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 2,238.46 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 681.00 MB
Peak swap size 5.21 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>7.16.20</core_client_version>
<![CDATA[
<stderr_txt>
08:36:08 (34252): wrapper (7.9.26016): starting
08:36:08 (34252): 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
08:36:10 (34252): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:36:10 (34252): 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\slots\12\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\slots\12\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
10:21:58 (34252): C:/Windows/system32/cmd.exe exited; CPU time 6296.171875
10:21:58 (34252): 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: 138559993 bytes.
Dumping objects ->
{3835350} normal block at 0x0000029F64E11640, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835339} normal block at 0x0000029F64F52D30, 32 bytes long.
 Data: <HOME=D:\BOINC\sl> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835328} normal block at 0x0000029F64F53450, 32 bytes long.
 Data: <TMP=D:\BOINC\slo> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{3835317} normal block at 0x0000029F64F525B0, 32 bytes long.
 Data: <TEMP=D:\BOINC\sl> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835306} normal block at 0x0000029F64F532D0, 32 bytes long.
 Data: <TMPDIR=D:\BOINC\> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5C 
{3835275} normal block at 0x0000029F64E10ED0, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
..\api\boinc_api.cpp(309) : {3835262} normal block at 0x0000029F62FD6660, 8 bytes long.
 Data: <   b    > 00 00 F7 62 9F 02 00 00 
{3834045} normal block at 0x0000029F62FD7290, 8 bytes long.
 Data: <   d    > 20 1B F9 64 9F 02 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x0000029F62FE1C40, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000029F62FCACC0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x0000029F62FE2C30, 16 bytes long.
 Data: <x> b            > 78 3E FE 62 9F 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000029F62FE3AE0, 16 bytes long.
 Data: <P> b            > 50 3E FE 62 9F 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000029F62FDD8F0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x0000029F62FE3130, 16 bytes long.
 Data: <(> b            > 28 3E FE 62 9F 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000029F62FE3630, 16 bytes long.
 Data: < > b            > 00 3E FE 62 9F 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000029F62FE3090, 16 bytes long.
 Data: <&#216;= b            > D8 3D FE 62 9F 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000029F62FE3310, 16 bytes long.
 Data: <&#176;= b            > B0 3D FE 62 9F 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000029F62FDCBB0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x0000029F62FE3040, 16 bytes long.
 Data: <&#184;&#195; b            > B8 C3 FC 62 9F 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000029F62FDD410, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x0000029F62FE2FF0, 16 bytes long.
 Data: < &#195; b            > 90 C3 FC 62 9F 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000029F62FE2E60, 16 bytes long.
 Data: <h&#195; b            > 68 C3 FC 62 9F 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000029F62FE2E10, 16 bytes long.
 Data: <@&#195; b            > 40 C3 FC 62 9F 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000029F62FE2DC0, 16 bytes long.
 Data: < &#195; b            > 18 C3 FC 62 9F 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000029F62FE3860, 16 bytes long.
 Data: < &#194; b            > F0 C2 FC 62 9F 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000029F62FE2F00, 16 bytes long.
 Data: <&#200;&#194; b            > C8 C2 FC 62 9F 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000029F62FDDE30, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x0000029F62FE32C0, 16 bytes long.
 Data: < &#194; b            > A0 C2 FC 62 9F 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000029F62FCC2A0, 320 bytes long.
 Data: <&#192;2 b    0&#222; b    > C0 32 FE 62 9F 02 00 00 30 DE FD 62 9F 02 00 00 
{273} normal block at 0x0000029F62FE36D0, 16 bytes long.
 Data: < = b            > 90 3D FE 62 9F 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000029F62FE3A90, 16 bytes long.
 Data: <h= b            > 68 3D FE 62 9F 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000029F62FDD830, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x0000029F62FE37C0, 16 bytes long.
 Data: <@= b            > 40 3D FE 62 9F 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000029F62FDD470, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x0000029F62FE3220, 16 bytes long.
 Data: < < b            > 88 3C FE 62 9F 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000029F62FE2EB0, 16 bytes long.
 Data: <`< b            > 60 3C FE 62 9F 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000029F62FE34F0, 16 bytes long.
 Data: <8< b            > 38 3C FE 62 9F 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000029F62FE30E0, 16 bytes long.
 Data: < < b            > 10 3C FE 62 9F 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000029F62FE2D20, 16 bytes long.
 Data: < ; b            > E8 3B FE 62 9F 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000029F62FE2CD0, 16 bytes long.
 Data: <&#192;; b            > C0 3B FE 62 9F 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000029F62FE2C80, 16 bytes long.
 Data: <&#208;&#202; b            > D0 CA FD 62 9F 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000029F62FDCAD0, 40 bytes long.
 Data: < , b    &#208;  d    > 80 2C FE 62 9F 02 00 00 D0 0E E1 64 9F 02 00 00 
{259} normal block at 0x0000029F62FE34A0, 16 bytes long.
 Data: < ; b            > A0 3B FE 62 9F 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000029F62FE3270, 16 bytes long.
 Data: <x; b            > 78 3B FE 62 9F 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000029F62FDDAD0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x0000029F62FE2FA0, 16 bytes long.
 Data: <P; b            > 50 3B FE 62 9F 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000029F62FE3B50, 992 bytes long.
 Data: < / b    &#208;&#218; b    > A0 2F FE 62 9F 02 00 00 D0 DA FD 62 9F 02 00 00 
{91} normal block at 0x0000029F62FDD290, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x0000029F62FD6A70, 16 bytes long.
 Data: < &#205; b            > 00 CD FD 62 9F 02 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x0000029F62FDCD00, 40 bytes long.
 Data: <pj b     &#210; b    > 70 6A FD 62 9F 02 00 00 90 D2 FD 62 9F 02 00 00 
{66} normal block at 0x0000029F62FD7240, 16 bytes long.
 Data: <                > 80 EA 19 99 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000029F62FD65C0, 16 bytes long.
 Data: <@               > 40 E9 19 99 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000029F62FD6BB0, 16 bytes long.
 Data: < W              > F8 57 16 99 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000029F62FD71F0, 16 bytes long.
 Data: <&#216;W              > D8 57 16 99 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000029F62FD6930, 16 bytes long.
 Data: <P               > 50 04 16 99 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000029F62FD6610, 16 bytes long.
 Data: <0               > 30 04 16 99 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000029F62FD6D90, 16 bytes long.
 Data: <                > E0 02 16 99 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000029F62FD67A0, 16 bytes long.
 Data: <                > 10 04 16 99 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000029F62FD7010, 16 bytes long.
 Data: <p               > 70 04 16 99 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000029F62FD6DE0, 16 bytes long.
 Data: < &#192;              > 18 C0 14 99 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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