Task 38687964

Name test_926-GPUGRID_TEST_ATM_40STEP_20261023-39-40-RND8590_0
Workunit 31629335
Created 28 Oct 2026, 10:46:04 UTC
Sent 28 Oct 2026, 10:46:06 UTC
Report deadline 2 Nov 2026, 10:46:06 UTC
Received 28 Oct 2026, 11:50:38 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 156955
Run time 35 min 23 sec
CPU time 32 min 15 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 22,242.34 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 712.71 MB
Peak swap size 8.47 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>7.24.1</core_client_version>
<![CDATA[
<stderr_txt>
12:16:26 (35116): wrapper (7.9.26016): starting
12:16:26 (35116): 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
12:16:28 (35116): Library/usr/bin/tar.exe exited; CPU time 0.015625
12:16:28 (35116): 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_data\slots\4\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_data\slots\4\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
12:50:00 (35116): C:/Windows/system32/cmd.exe exited; CPU time 1935.953125
12:50:00 (35116): called boinc_finish(0)
0 bytes in 0 Free Blocks.
380 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: 43558115 bytes.
Dumping objects ->
{3835307} normal block at 0x00000269992269C0, 48 bytes long.
 Data: <PATH=D:\Boinc_da> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 5F 64 61 
{3835296} normal block at 0x000002699AE66010, 32 bytes long.
 Data: <HOME=D:\Boinc_da> 48 4F 4D 45 3D 44 3A 5C 42 6F 69 6E 63 5F 64 61 
{3835285} normal block at 0x000002699AE65350, 32 bytes long.
 Data: <TMP=D:\Boinc_dat> 54 4D 50 3D 44 3A 5C 42 6F 69 6E 63 5F 64 61 74 
{3835274} normal block at 0x000002699AE65A70, 32 bytes long.
 Data: <TEMP=D:\Boinc_da> 54 45 4D 50 3D 44 3A 5C 42 6F 69 6E 63 5F 64 61 
{3835263} normal block at 0x000002699AE652F0, 32 bytes long.
 Data: <TMPDIR=D:\Boinc_> 54 4D 50 44 49 52 3D 44 3A 5C 42 6F 69 6E 63 5F 
{3835232} normal block at 0x0000026999226480, 48 bytes long.
 Data: <PATH=D:\Boinc_da> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 5F 64 61 
{3835221} normal block at 0x000002699AE2E240, 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) : {3835218} normal block at 0x00000269991F77D0, 8 bytes long.
 Data: <    i   > 00 00 1B 99 69 02 00 00 
{3834570} normal block at 0x000002699AE2E030, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x00000269991F7280, 8 bytes long.
 Data: <&#176;&#228;&#210;&#154;i   > B0 E4 D2 9A 69 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000026999201AB0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000269991FD690, 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 0x0000026999203900, 16 bytes long.
 Data: <&#216;A  i           > D8 41 20 99 69 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000269992034A0, 16 bytes long.
 Data: <&#176;A  i           > B0 41 20 99 69 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000269991FBCD0, 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 0x0000026999203090, 16 bytes long.
 Data: < A  i           > 88 41 20 99 69 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000026999202FF0, 16 bytes long.
 Data: <`A  i           > 60 41 20 99 69 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000026999203810, 16 bytes long.
 Data: <8A  i           > 38 41 20 99 69 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000269992035E0, 16 bytes long.
 Data: < A  i           > 10 41 20 99 69 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000269991FDF80, 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 0x00000269992030E0, 16 bytes long.
 Data: < )  i           > 88 29 20 99 69 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000269991FBF70, 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 0x00000269992039F0, 16 bytes long.
 Data: <`)  i           > 60 29 20 99 69 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000026999203400, 16 bytes long.
 Data: <8)  i           > 38 29 20 99 69 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000026999202B90, 16 bytes long.
 Data: < )  i           > 10 29 20 99 69 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000026999202F00, 16 bytes long.
 Data: <&#232;(  i           > E8 28 20 99 69 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000269992037C0, 16 bytes long.
 Data: <&#192;(  i           > C0 28 20 99 69 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000269992039A0, 16 bytes long.
 Data: < (  i           > 98 28 20 99 69 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000269991FC6F0, 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 0x0000026999202EB0, 16 bytes long.
 Data: <p(  i           > 70 28 20 99 69 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000026999202870, 320 bytes long.
 Data: <&#176;.  i   &#240;&#198;  i   > B0 2E 20 99 69 02 00 00 F0 C6 1F 99 69 02 00 00 
{274} normal block at 0x0000026999203040, 16 bytes long.
 Data: <&#240;@  i           > F0 40 20 99 69 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000026999202D20, 16 bytes long.
 Data: <&#200;@  i           > C8 40 20 99 69 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000269991FC390, 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 0x0000026999202C80, 16 bytes long.
 Data: <&#160;@  i           > A0 40 20 99 69 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000269991FC030, 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 0x0000026999202E60, 16 bytes long.
 Data: <&#232;?  i           > E8 3F 20 99 69 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000026999203770, 16 bytes long.
 Data: <&#192;?  i           > C0 3F 20 99 69 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000026999202F50, 16 bytes long.
 Data: < ?  i           > 98 3F 20 99 69 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000026999202DC0, 16 bytes long.
 Data: <p?  i           > 70 3F 20 99 69 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000026999202E10, 16 bytes long.
 Data: <H?  i           > 48 3F 20 99 69 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000026999202D70, 16 bytes long.
 Data: < ?  i           > 20 3F 20 99 69 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000026999202B40, 16 bytes long.
 Data: <&#192;&#221;  i           > C0 DD 1F 99 69 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000269991FDDC0, 40 bytes long.
 Data: <@+  i    d" i   > 40 2B 20 99 69 02 00 00 80 64 22 99 69 02 00 00 
{260} normal block at 0x00000269992033B0, 16 bytes long.
 Data: < ?  i           > 00 3F 20 99 69 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000026999203360, 16 bytes long.
 Data: <&#216;>  i           > D8 3E 20 99 69 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000269991FC0F0, 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 0x0000026999203590, 16 bytes long.
 Data: <&#176;>  i           > B0 3E 20 99 69 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000026999203EB0, 992 bytes long.
 Data: < 5  i   &#240;&#192;  i   > 90 35 20 99 69 02 00 00 F0 C0 1F 99 69 02 00 00 
{92} normal block at 0x00000269991FC3F0, 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 0x00000269991F7230, 16 bytes long.
 Data: < &#220;  i           > 00 DC 1F 99 69 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x00000269991FDC00, 40 bytes long.
 Data: <0r  i   &#240;&#195;  i   > 30 72 1F 99 69 02 00 00 F0 C3 1F 99 69 02 00 00 
{69} normal block at 0x00000269991F6EC0, 16 bytes long.
 Data: < &#234;S&#130;&#246;           > 80 EA 53 82 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000269991F6F60, 16 bytes long.
 Data: <@&#233;S&#130;&#246;           > 40 E9 53 82 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000269991F6C90, 16 bytes long.
 Data: <&#248;WP&#130;&#246;           > F8 57 50 82 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000269991F6E20, 16 bytes long.
 Data: <&#216;WP&#130;&#246;           > D8 57 50 82 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000269991F7A00, 16 bytes long.
 Data: <P P&#130;&#246;           > 50 04 50 82 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000269991F6CE0, 16 bytes long.
 Data: <0 P&#130;&#246;           > 30 04 50 82 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000269991F7820, 16 bytes long.
 Data: <&#224; P&#130;&#246;           > E0 02 50 82 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000269991F6C40, 16 bytes long.
 Data: <  P&#130;&#246;           > 10 04 50 82 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000269991F6E70, 16 bytes long.
 Data: <p P&#130;&#246;           > 70 04 50 82 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000269991F6DD0, 16 bytes long.
 Data: < &#192;N&#130;&#246;           > 18 C0 4E 82 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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