Task 38668625

Name test_338-GPUGRID_TEST_ATM_40STEP_20261023-16-40-RND4968_3
Workunit 31610998
Created 25 Oct 2026, 12:18:04 UTC
Sent 25 Oct 2026, 12:18:11 UTC
Report deadline 30 Oct 2026, 12:18:11 UTC
Received 25 Oct 2026, 15:06:45 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654841
Run time 28 min 36 sec
CPU time 25 min 53 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 13,171.24 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 713.14 MB
Peak swap size 8.42 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:36:46 (11192): wrapper (7.9.26016): starting
16:36:46 (11192): 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
16:36:47 (11192): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:36:47 (11192): 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:\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 'D:\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
17:04:40 (11192): C:/Windows/system32/cmd.exe exited; CPU time 1553.765625
17:04:40 (11192): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 bytes in 8 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: 23639735 bytes.
Dumping objects ->
{3835233} normal block at 0x00000172DC3E12F0, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835222} normal block at 0x00000172DC3E1130, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835211} normal block at 0x00000172DC3E0CD0, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835200} normal block at 0x00000172DC3E1280, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835189} normal block at 0x00000172DC3E1210, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835158} normal block at 0x00000172DC48DB10, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835147} normal block at 0x00000172DC428D50, 160 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {3835144} normal block at 0x00000172DA818980, 8 bytes long.
 Data: <  $&#220;r   > 00 00 24 DC 72 01 00 00 
{3834543} normal block at 0x00000172DC4289D0, 160 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833946} normal block at 0x00000172DA818930, 8 bytes long.
 Data: <P W&#220;r   > 50 90 57 DC 72 01 00 00 
..\zip\boinc_zip.cpp(122) : {302} normal block at 0x00000172DA81E400, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000172DA80C6A0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{286} normal block at 0x00000172DA823F90, 16 bytes long.
 Data: <HP&#130;&#218;r           > 48 50 82 DA 72 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000172DA823EF0, 16 bytes long.
 Data: < P&#130;&#218;r           > 20 50 82 DA 72 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000172DA81F010, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{283} normal block at 0x00000172DA8241C0, 16 bytes long.
 Data: <&#248;O&#130;&#218;r           > F8 4F 82 DA 72 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000172DA823DB0, 16 bytes long.
 Data: <&#208;O&#130;&#218;r           > D0 4F 82 DA 72 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000172DA824530, 16 bytes long.
 Data: <&#168;O&#130;&#218;r           > A8 4F 82 DA 72 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000172DA824CB0, 16 bytes long.
 Data: < O&#130;&#218;r           > 80 4F 82 DA 72 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000172DA81F8B0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{278} normal block at 0x00000172DA824300, 16 bytes long.
 Data: <8&#198; &#218;r           > 38 C6 80 DA 72 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000172DA81ED70, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{276} normal block at 0x00000172DA824670, 16 bytes long.
 Data: < &#198; &#218;r           > 10 C6 80 DA 72 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000172DA824BC0, 16 bytes long.
 Data: <&#232;&#197; &#218;r           > E8 C5 80 DA 72 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000172DA8242B0, 16 bytes long.
 Data: <&#192;&#197; &#218;r           > C0 C5 80 DA 72 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000172DA8244E0, 16 bytes long.
 Data: < &#197; &#218;r           > 98 C5 80 DA 72 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000172DA824490, 16 bytes long.
 Data: <p&#197; &#218;r           > 70 C5 80 DA 72 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000172DA8248F0, 16 bytes long.
 Data: <H&#197; &#218;r           > 48 C5 80 DA 72 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000172DA81EFB0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{268} normal block at 0x00000172DA824990, 16 bytes long.
 Data: < &#197; &#218;r           > 20 C5 80 DA 72 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000172DA80C520, 320 bytes long.
 Data: < I&#130;&#218;r   &#176;&#239; &#218;r   > 90 49 82 DA 72 01 00 00 B0 EF 81 DA 72 01 00 00 
{266} normal block at 0x00000172DA824C10, 16 bytes long.
 Data: <`O&#130;&#218;r           > 60 4F 82 DA 72 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000172DA823EA0, 16 bytes long.
 Data: <8O&#130;&#218;r           > 38 4F 82 DA 72 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000172DA81E950, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{263} normal block at 0x00000172DA823E50, 16 bytes long.
 Data: < O&#130;&#218;r           > 10 4F 82 DA 72 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000172DA81F3D0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{261} normal block at 0x00000172DA824120, 16 bytes long.
 Data: <XN&#130;&#218;r           > 58 4E 82 DA 72 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000172DA8240D0, 16 bytes long.
 Data: <0N&#130;&#218;r           > 30 4E 82 DA 72 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000172DA824030, 16 bytes long.
 Data: < N&#130;&#218;r           > 08 4E 82 DA 72 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000172DA8247B0, 16 bytes long.
 Data: <&#224;M&#130;&#218;r           > E0 4D 82 DA 72 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000172DA823D60, 16 bytes long.
 Data: <&#184;M&#130;&#218;r           > B8 4D 82 DA 72 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000172DA824C60, 16 bytes long.
 Data: < M&#130;&#218;r           > 90 4D 82 DA 72 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x00000172DA824440, 16 bytes long.
 Data: <&#208;&#247; &#218;r           > D0 F7 81 DA 72 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x00000172DA81F7D0, 40 bytes long.
 Data: <@D&#130;&#218;r    &#219;H&#220;r   > 40 44 82 DA 72 01 00 00 10 DB 48 DC 72 01 00 00 
{252} normal block at 0x00000172DA824080, 16 bytes long.
 Data: <pM&#130;&#218;r           > 70 4D 82 DA 72 01 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x00000172DA824620, 16 bytes long.
 Data: <HM&#130;&#218;r           > 48 4D 82 DA 72 01 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x00000172DA81F2B0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{249} normal block at 0x00000172DA824170, 16 bytes long.
 Data: < M&#130;&#218;r           > 20 4D 82 DA 72 01 00 00 00 00 00 00 00 00 00 00 
{248} normal block at 0x00000172DA824D20, 992 bytes long.
 Data: <pA&#130;&#218;r   &#176;&#242; &#218;r   > 70 41 82 DA 72 01 00 00 B0 F2 81 DA 72 01 00 00 
{84} normal block at 0x00000172DA81E890, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{83} normal block at 0x00000172DA818A70, 16 bytes long.
 Data: <@&#248; &#218;r           > 40 F8 81 DA 72 01 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x00000172DA81F840, 40 bytes long.
 Data: <p  &#218;r    &#232; &#218;r   > 70 8A 81 DA 72 01 00 00 90 E8 81 DA 72 01 00 00 
{61} normal block at 0x00000172DA8188E0, 16 bytes long.
 Data: < &#234;w&#167;&#246;           > 80 EA 77 A7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000172DA8182A0, 16 bytes long.
 Data: <@&#233;w&#167;&#246;           > 40 E9 77 A7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000172DA818430, 16 bytes long.
 Data: <&#248;Wt&#167;&#246;           > F8 57 74 A7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000172DA818390, 16 bytes long.
 Data: <&#216;Wt&#167;&#246;           > D8 57 74 A7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000172DA8180C0, 16 bytes long.
 Data: <P t&#167;&#246;           > 50 04 74 A7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x00000172DA818E80, 16 bytes long.
 Data: <0 t&#167;&#246;           > 30 04 74 A7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x00000172DA818070, 16 bytes long.
 Data: <&#224; t&#167;&#246;           > E0 02 74 A7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x00000172DA818F70, 16 bytes long.
 Data: <  t&#167;&#246;           > 10 04 74 A7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x00000172DA818C00, 16 bytes long.
 Data: <p t&#167;&#246;           > 70 04 74 A7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{52} normal block at 0x00000172DA8185C0, 16 bytes long.
 Data: < &#192;r&#167;&#246;           > 18 C0 72 A7 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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