Task 38672935

Name test_523-GPUGRID_TEST_ATM_40STEP_20261023-22-40-RND5395_0
Workunit 31615047
Created 26 Oct 2026, 0:56:32 UTC
Sent 26 Oct 2026, 0:56:35 UTC
Report deadline 31 Oct 2026, 0:56:35 UTC
Received 26 Oct 2026, 1:28:59 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654838
Run time 15 min 19 sec
CPU time 14 min 41 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 82,578.99 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 729.94 MB
Peak swap size 13.18 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
21:13:51 (31332): wrapper (7.9.26016): starting
21:13:51 (31332): 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
21:13:52 (31332): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:13:52 (31332): 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
21:28:32 (31332): C:/Windows/system32/cmd.exe exited; CPU time 881.875000
21:28:32 (31332): 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: 21213489 bytes.
Dumping objects ->
{3835501} normal block at 0x0000020541801B10, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835490} normal block at 0x0000020541801A30, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835479} normal block at 0x0000020541801950, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835468} normal block at 0x0000020541802050, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835457} normal block at 0x0000020541801FE0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835426} normal block at 0x0000020543579C50, 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) : {3835413} normal block at 0x00000205417FC560, 8 bytes long.
 Data: <  &#232;A    > 00 00 E8 41 05 02 00 00 
{3833939} normal block at 0x00000205417FC0B0, 8 bytes long.
 Data: <  aC    > 80 80 61 43 05 02 00 00 
..\zip\boinc_zip.cpp(122) : {301} normal block at 0x00000205417FDE50, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000205417F47D0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{285} normal block at 0x0000020541803980, 16 bytes long.
 Data: < + A            > 18 2B 80 41 05 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000205418037A0, 16 bytes long.
 Data: <&#240;* A            > F0 2A 80 41 05 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000205417FCC40, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{282} normal block at 0x0000020541803520, 16 bytes long.
 Data: <&#200;* A            > C8 2A 80 41 05 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000205418034D0, 16 bytes long.
 Data: <&#160;* A            > A0 2A 80 41 05 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000020541803200, 16 bytes long.
 Data: <x* A            > 78 2A 80 41 05 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000205418031B0, 16 bytes long.
 Data: <P* A            > 50 2A 80 41 05 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000020541801D40, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{277} normal block at 0x0000020541803AC0, 16 bytes long.
 Data: <8&#131; A            > 38 83 7F 41 05 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000205417FD000, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{275} normal block at 0x0000020541803890, 16 bytes long.
 Data: < &#131; A            > 10 83 7F 41 05 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000205418035C0, 16 bytes long.
 Data: <&#232;&#130; A            > E8 82 7F 41 05 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000020541802DA0, 16 bytes long.
 Data: <&#192;&#130; A            > C0 82 7F 41 05 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000020541802EE0, 16 bytes long.
 Data: < &#130; A            > 98 82 7F 41 05 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000205418037F0, 16 bytes long.
 Data: <p&#130; A            > 70 82 7F 41 05 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020541803110, 16 bytes long.
 Data: <H&#130; A            > 48 82 7F 41 05 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000205417FD4E0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{267} normal block at 0x0000020541802E90, 16 bytes long.
 Data: < &#130; A            > 20 82 7F 41 05 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000205417F8220, 320 bytes long.
 Data: < . A    &#224;&#212; A    > 90 2E 80 41 05 02 00 00 E0 D4 7F 41 05 02 00 00 
{265} normal block at 0x0000020541803160, 16 bytes long.
 Data: <0* A            > 30 2A 80 41 05 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020541802D50, 16 bytes long.
 Data: < * A            > 08 2A 80 41 05 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000205417FD120, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{262} normal block at 0x0000020541803390, 16 bytes long.
 Data: <&#224;) A            > E0 29 80 41 05 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000205417FCE20, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{260} normal block at 0x0000020541803660, 16 bytes long.
 Data: <() A            > 28 29 80 41 05 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000020541802FD0, 16 bytes long.
 Data: < ) A            > 00 29 80 41 05 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000205418030C0, 16 bytes long.
 Data: <&#216;( A            > D8 28 80 41 05 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000020541803840, 16 bytes long.
 Data: <&#176;( A            > B0 28 80 41 05 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000205417FC1F0, 16 bytes long.
 Data: < ( A            > 88 28 80 41 05 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000205417FBA70, 16 bytes long.
 Data: <`( A            > 60 28 80 41 05 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x00000205417FBC50, 16 bytes long.
 Data: <   A            > 20 1E 80 41 05 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000020541801E20, 40 bytes long.
 Data: <P&#188; A    P&#156;WC    > 50 BC 7F 41 05 02 00 00 50 9C 57 43 05 02 00 00 
{251} normal block at 0x00000205417FC420, 16 bytes long.
 Data: <@( A            > 40 28 80 41 05 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x00000205417FC7E0, 16 bytes long.
 Data: < ( A            > 18 28 80 41 05 02 00 00 00 00 00 00 00 00 00 00 
{249} normal block at 0x00000205417FD2A0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{248} normal block at 0x00000205417FC240, 16 bytes long.
 Data: <&#240;' A            > F0 27 80 41 05 02 00 00 00 00 00 00 00 00 00 00 
{247} normal block at 0x00000205418027F0, 992 bytes long.
 Data: <@&#194; A    &#160;&#210; A    > 40 C2 7F 41 05 02 00 00 A0 D2 7F 41 05 02 00 00 
{83} normal block at 0x00000205417FD060, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{82} normal block at 0x00000205417FBFC0, 16 bytes long.
 Data: < &#224;~A            > 20 E0 7E 41 05 02 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x00000205417EE020, 40 bytes long.
 Data: <&#192;&#191; A    `&#208; A    > C0 BF 7F 41 05 02 00 00 60 D0 7F 41 05 02 00 00 
{60} normal block at 0x00000205417FC6F0, 16 bytes long.
 Data: < &#234;^S&#247;           > 80 EA 5E 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000205417FB930, 16 bytes long.
 Data: <@&#233;^S&#247;           > 40 E9 5E 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000205417FBCF0, 16 bytes long.
 Data: <&#248;W[S&#247;           > F8 57 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000205417FBAC0, 16 bytes long.
 Data: <&#216;W[S&#247;           > D8 57 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x00000205417FC060, 16 bytes long.
 Data: <P [S&#247;           > 50 04 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x00000205417FC330, 16 bytes long.
 Data: <0 [S&#247;           > 30 04 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x00000205417FC790, 16 bytes long.
 Data: <&#224; [S&#247;           > E0 02 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x00000205417FC830, 16 bytes long.
 Data: <  [S&#247;           > 10 04 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{52} normal block at 0x00000205417FBE80, 16 bytes long.
 Data: <p [S&#247;           > 70 04 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{51} normal block at 0x00000205417FBB10, 16 bytes long.
 Data: < &#192;YS&#247;           > 18 C0 59 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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