Task 38678248

Name test_833-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND1803_0
Workunit 31620078
Created 26 Oct 2026, 16:50:25 UTC
Sent 26 Oct 2026, 16:50:29 UTC
Report deadline 31 Oct 2026, 16:50:29 UTC
Received 26 Oct 2026, 18:27:52 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 580989
Run time 24 min 9 sec
CPU time 20 min 54 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 31,239.72 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 735.58 MB
Peak swap size 12.96 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:04:08 (21128): wrapper (7.9.26016): starting
19:04:08 (21128): 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
19:04:09 (21128): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:04:09 (21128): 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\26\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\26\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
19:27:26 (21128): C:/Windows/system32/cmd.exe exited; CPU time 1254.406250
19:27:26 (21128): 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: 30436905 bytes.
Dumping objects ->
{3835250} normal block at 0x00000153A7CF1480, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835239} normal block at 0x00000153A7CF0920, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835228} normal block at 0x00000153A7CF0B50, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835217} normal block at 0x00000153A7CF1410, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835206} normal block at 0x00000153A7CF15D0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835175} normal block at 0x00000153A7D9BCB0, 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) : {3835162} normal block at 0x00000153A6186A70, 8 bytes long.
 Data: <   &#166;S   > 00 00 14 A6 53 01 00 00 
{3833957} normal block at 0x00000153A6186AC0, 8 bytes long.
 Data: <&#160;L&#232;&#167;S   > A0 4C E8 A7 53 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x00000153A61915E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000153A6192520, 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 0x00000153A61933E0, 16 bytes long.
 Data: < = &#166;S           > 08 3D 19 A6 53 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000153A6193340, 16 bytes long.
 Data: <&#224;< &#166;S           > E0 3C 19 A6 53 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000153A618BA70, 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 0x00000153A6192800, 16 bytes long.
 Data: <&#184;< &#166;S           > B8 3C 19 A6 53 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000153A6192850, 16 bytes long.
 Data: < < &#166;S           > 90 3C 19 A6 53 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000153A6192D00, 16 bytes long.
 Data: <h< &#166;S           > 68 3C 19 A6 53 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000153A61927B0, 16 bytes long.
 Data: <@< &#166;S           > 40 3C 19 A6 53 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000153A618D020, 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 0x00000153A61932F0, 16 bytes long.
 Data: <&#184;$ &#166;S           > B8 24 19 A6 53 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000153A618BFB0, 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 0x00000153A61928A0, 16 bytes long.
 Data: < $ &#166;S           > 90 24 19 A6 53 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000153A61932A0, 16 bytes long.
 Data: <h$ &#166;S           > 68 24 19 A6 53 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000153A6193250, 16 bytes long.
 Data: <@$ &#166;S           > 40 24 19 A6 53 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000153A6193200, 16 bytes long.
 Data: < $ &#166;S           > 18 24 19 A6 53 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000153A6192D50, 16 bytes long.
 Data: <&#240;# &#166;S           > F0 23 19 A6 53 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000153A6192CB0, 16 bytes long.
 Data: <&#200;# &#166;S           > C8 23 19 A6 53 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000153A618B710, 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 0x00000153A6193110, 16 bytes long.
 Data: <&#160;# &#166;S           > A0 23 19 A6 53 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000153A61923A0, 320 bytes long.
 Data: < 1 &#166;S    &#183; &#166;S   > 10 31 19 A6 53 01 00 00 10 B7 18 A6 53 01 00 00 
{274} normal block at 0x00000153A6193070, 16 bytes long.
 Data: < < &#166;S           > 20 3C 19 A6 53 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000153A6192FD0, 16 bytes long.
 Data: <&#248;; &#166;S           > F8 3B 19 A6 53 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000153A618BF50, 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 0x00000153A61926C0, 16 bytes long.
 Data: <&#208;; &#166;S           > D0 3B 19 A6 53 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000153A618C490, 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 0x00000153A6192F80, 16 bytes long.
 Data: < ; &#166;S           > 18 3B 19 A6 53 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000153A6192F30, 16 bytes long.
 Data: <&#240;: &#166;S           > F0 3A 19 A6 53 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000153A6192670, 16 bytes long.
 Data: <&#200;: &#166;S           > C8 3A 19 A6 53 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000153A6192E90, 16 bytes long.
 Data: <&#160;: &#166;S           > A0 3A 19 A6 53 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000153A6193570, 16 bytes long.
 Data: <x: &#166;S           > 78 3A 19 A6 53 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000153A6192760, 16 bytes long.
 Data: <P: &#166;S           > 50 3A 19 A6 53 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000153A6192620, 16 bytes long.
 Data: <@&#214; &#166;S           > 40 D6 18 A6 53 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000153A618D640, 40 bytes long.
 Data: < & &#166;S   &#176;&#188;&#217;&#167;S   > 20 26 19 A6 53 01 00 00 B0 BC D9 A7 53 01 00 00 
{260} normal block at 0x00000153A61934D0, 16 bytes long.
 Data: <0: &#166;S           > 30 3A 19 A6 53 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000153A6193480, 16 bytes long.
 Data: < : &#166;S           > 08 3A 19 A6 53 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000153A618C430, 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 0x00000153A6192EE0, 16 bytes long.
 Data: <&#224;9 &#166;S           > E0 39 19 A6 53 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000153A61939E0, 992 bytes long.
 Data: <&#224;. &#166;S   0&#196; &#166;S   > E0 2E 19 A6 53 01 00 00 30 C4 18 A6 53 01 00 00 
{92} normal block at 0x00000153A618C0D0, 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 0x00000153A6186930, 16 bytes long.
 Data: <&#208;&#213; &#166;S           > D0 D5 18 A6 53 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x00000153A618D5D0, 40 bytes long.
 Data: <0i &#166;S   &#208;&#192; &#166;S   > 30 69 18 A6 53 01 00 00 D0 C0 18 A6 53 01 00 00 
{69} normal block at 0x00000153A61870B0, 16 bytes long.
 Data: < &#234;&#182; &#247;           > 80 EA B6 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000153A61873D0, 16 bytes long.
 Data: <@&#233;&#182; &#247;           > 40 E9 B6 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000153A6186F20, 16 bytes long.
 Data: <&#248;W&#179; &#247;           > F8 57 B3 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000153A6187600, 16 bytes long.
 Data: <&#216;W&#179; &#247;           > D8 57 B3 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000153A6186CF0, 16 bytes long.
 Data: <P &#179; &#247;           > 50 04 B3 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000153A6186E30, 16 bytes long.
 Data: <0 &#179; &#247;           > 30 04 B3 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000153A6186D40, 16 bytes long.
 Data: <&#224; &#179; &#247;           > E0 02 B3 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000153A6186CA0, 16 bytes long.
 Data: <  &#179; &#247;           > 10 04 B3 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000153A6186B60, 16 bytes long.
 Data: <p &#179; &#247;           > 70 04 B3 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000153A6186ED0, 16 bytes long.
 Data: < &#192;&#177; &#247;           > 18 C0 B1 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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