Task 38683864

Name test_427-GPUGRID_TEST_ATM_40STEP_20261023-35-40-RND3387_0
Workunit 31625403
Created 27 Oct 2026, 13:40:02 UTC
Sent 27 Oct 2026, 13:40:05 UTC
Report deadline 1 Nov 2026, 13:40:05 UTC
Received 27 Oct 2026, 14:55:55 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 583368
Run time 42 min 37 sec
CPU time 41 min 6 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 704.13 MB
Peak swap size 9.86 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
15:14:14 (32300): wrapper (7.9.26016): starting
15:14:14 (32300): 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
15:14:15 (32300): Library/usr/bin/tar.exe exited; CPU time 0.015625
15:14:15 (32300): 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\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:\ProgramData\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
15:55:26 (32300): C:/Windows/system32/cmd.exe exited; CPU time 2466.625000
15:55:26 (32300): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 46032527 bytes.
Dumping objects ->
{3835207} normal block at 0x00000212B29A67A0, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835196} normal block at 0x00000212B29A66C0, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835185} normal block at 0x00000212B29A6570, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835174} normal block at 0x00000212B29A6500, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835163} normal block at 0x00000212B29A6110, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835132} normal block at 0x00000212B470A870, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835121} normal block at 0x00000212B4720C20, 102 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) : {3835118} normal block at 0x00000212B299E310, 8 bytes long.
 Data: <  &#150;&#178;    > 00 00 96 B2 12 02 00 00 
{3834522} normal block at 0x00000212B4720A10, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833947} normal block at 0x00000212B299EFE0, 8 bytes long.
 Data: <0&#247;q&#180;    > 30 F7 71 B4 12 02 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x00000212B29A0880, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000212B298F670, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{289} normal block at 0x00000212B29A7540, 16 bytes long.
 Data: <8}&#154;&#178;            > 38 7D 9A B2 12 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000212B29A73B0, 16 bytes long.
 Data: < }&#154;&#178;            > 10 7D 9A B2 12 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000212B299F570, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{286} normal block at 0x00000212B29A78B0, 16 bytes long.
 Data: <&#232;|&#154;&#178;            > E8 7C 9A B2 12 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000212B29A7360, 16 bytes long.
 Data: <&#192;|&#154;&#178;            > C0 7C 9A B2 12 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000212B29A7630, 16 bytes long.
 Data: < |&#154;&#178;            > 98 7C 9A B2 12 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000212B29A7310, 16 bytes long.
 Data: <p|&#154;&#178;            > 70 7C 9A B2 12 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000212B29A6180, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{281} normal block at 0x00000212B29A7450, 16 bytes long.
 Data: <h&#180; &#178;            > 68 B4 98 B2 12 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000212B299F630, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{279} normal block at 0x00000212B29A72C0, 16 bytes long.
 Data: <@&#180; &#178;            > 40 B4 98 B2 12 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000212B29A7680, 16 bytes long.
 Data: < &#180; &#178;            > 18 B4 98 B2 12 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000212B29A7270, 16 bytes long.
 Data: <&#240;&#179; &#178;            > F0 B3 98 B2 12 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000212B29A7220, 16 bytes long.
 Data: <&#200;&#179; &#178;            > C8 B3 98 B2 12 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000212B29A71D0, 16 bytes long.
 Data: <&#160;&#179; &#178;            > A0 B3 98 B2 12 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000212B29A7130, 16 bytes long.
 Data: <x&#179; &#178;            > 78 B3 98 B2 12 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000212B299F3F0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{271} normal block at 0x00000212B29A70E0, 16 bytes long.
 Data: <P&#179; &#178;            > 50 B3 98 B2 12 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000212B298B350, 320 bytes long.
 Data: <&#224;p&#154;&#178;    &#240;&#243; &#178;    > E0 70 9A B2 12 02 00 00 F0 F3 99 B2 12 02 00 00 
{269} normal block at 0x00000212B29A7950, 16 bytes long.
 Data: <P|&#154;&#178;            > 50 7C 9A B2 12 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000212B29A6FA0, 16 bytes long.
 Data: <(|&#154;&#178;            > 28 7C 9A B2 12 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000212B299F0F0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{266} normal block at 0x00000212B29A74F0, 16 bytes long.
 Data: < |&#154;&#178;            > 00 7C 9A B2 12 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000212B299FD50, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{264} normal block at 0x00000212B29A6D20, 16 bytes long.
 Data: <H{&#154;&#178;            > 48 7B 9A B2 12 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000212B29A7090, 16 bytes long.
 Data: < {&#154;&#178;            > 20 7B 9A B2 12 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000212B29A6FF0, 16 bytes long.
 Data: <&#248;z&#154;&#178;            > F8 7A 9A B2 12 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000212B29A7400, 16 bytes long.
 Data: <&#208;z&#154;&#178;            > D0 7A 9A B2 12 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000212B29A7040, 16 bytes long.
 Data: <&#168;z&#154;&#178;            > A8 7A 9A B2 12 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000212B29A6CD0, 16 bytes long.
 Data: < z&#154;&#178;            > 80 7A 9A B2 12 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000212B29A6B40, 16 bytes long.
 Data: <&#208;b&#154;&#178;            > D0 62 9A B2 12 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000212B29A62D0, 40 bytes long.
 Data: <@k&#154;&#178;    p&#168;p&#180;    > 40 6B 9A B2 12 02 00 00 70 A8 70 B4 12 02 00 00 
{255} normal block at 0x00000212B29A7180, 16 bytes long.
 Data: <`z&#154;&#178;            > 60 7A 9A B2 12 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x00000212B29A6F00, 16 bytes long.
 Data: <8z&#154;&#178;            > 38 7A 9A B2 12 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x00000212B299F690, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{252} normal block at 0x00000212B29A6C80, 16 bytes long.
 Data: < z&#154;&#178;            > 10 7A 9A B2 12 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x00000212B29A7A10, 992 bytes long.
 Data: < l&#154;&#178;     &#246; &#178;    > 80 6C 9A B2 12 02 00 00 90 F6 99 B2 12 02 00 00 
{87} normal block at 0x00000212B299FC90, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{86} normal block at 0x00000212B299E7C0, 16 bytes long.
 Data: < &#210; &#178;            > 10 D2 98 B2 12 02 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x00000212B298D210, 40 bytes long.
 Data: <&#192;&#231; &#178;     &#252; &#178;    > C0 E7 99 B2 12 02 00 00 90 FC 99 B2 12 02 00 00 
{64} normal block at 0x00000212B299EF40, 16 bytes long.
 Data: < &#234;n9&#247;           > 80 EA 6E 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000212B299E0E0, 16 bytes long.
 Data: <@&#233;n9&#247;           > 40 E9 6E 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000212B299E450, 16 bytes long.
 Data: <&#248;Wk9&#247;           > F8 57 6B 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000212B299E4A0, 16 bytes long.
 Data: <&#216;Wk9&#247;           > D8 57 6B 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000212B299E540, 16 bytes long.
 Data: <P k9&#247;           > 50 04 6B 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000212B299E950, 16 bytes long.
 Data: <0 k9&#247;           > 30 04 6B 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000212B299EDB0, 16 bytes long.
 Data: <&#224; k9&#247;           > E0 02 6B 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000212B299E400, 16 bytes long.
 Data: <  k9&#247;           > 10 04 6B 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x00000212B299E6D0, 16 bytes long.
 Data: <p k9&#247;           > 70 04 6B 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x00000212B299E860, 16 bytes long.
 Data: < &#192;i9&#247;           > 18 C0 69 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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