Task 38687691

Name test_621-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND1906_0
Workunit 31629074
Created 28 Oct 2026, 9:14:24 UTC
Sent 28 Oct 2026, 9:14:28 UTC
Report deadline 2 Nov 2026, 9:14:28 UTC
Received 28 Oct 2026, 10:12:54 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 156955
Run time 35 min 15 sec
CPU time 32 min 6 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 712.36 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>
10:38:53 (34724): wrapper (7.9.26016): starting
10:38:53 (34724): 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
10:38:55 (34724): Library/usr/bin/tar.exe exited; CPU time 0.015625
10:38:55 (34724): 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\5\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\5\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
11:12:19 (34724): C:/Windows/system32/cmd.exe exited; CPU time 1926.328125
11:12:19 (34724): 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: 43723289 bytes.
Dumping objects ->
{3835307} normal block at 0x000002642ED56F70, 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 0x00000264309D3C80, 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 0x00000264309D4700, 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 0x00000264309D49A0, 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 0x00000264309D3AA0, 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 0x000002642ED571A0, 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 0x000002643099DF20, 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 0x000002642ED27770, 8 bytes long.
 Data: <  &#207;.d   > 00 00 CF 2E 64 02 00 00 
{3834570} normal block at 0x000002643099E600, 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 0x000002642ED27720, 8 bytes long.
 Data: <P(&#145;0d   > 50 28 91 30 64 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000002642ED31A50, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002642ED2D630, 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 0x000002642ED32950, 16 bytes long.
 Data: <&#248;@&#211;.d           > F8 40 D3 2E 64 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002642ED333A0, 16 bytes long.
 Data: <&#208;@&#211;.d           > D0 40 D3 2E 64 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002642ED2C510, 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 0x000002642ED32EF0, 16 bytes long.
 Data: <&#168;@&#211;.d           > A8 40 D3 2E 64 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002642ED332B0, 16 bytes long.
 Data: < @&#211;.d           > 80 40 D3 2E 64 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002642ED32EA0, 16 bytes long.
 Data: <X@&#211;.d           > 58 40 D3 2E 64 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002642ED33490, 16 bytes long.
 Data: <0@&#211;.d           > 30 40 D3 2E 64 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002642ED2DF20, 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 0x000002642ED33350, 16 bytes long.
 Data: <(b&#209;.d           > 28 62 D1 2E 64 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002642ED2C450, 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 0x000002642ED32DB0, 16 bytes long.
 Data: < b&#209;.d           > 00 62 D1 2E 64 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002642ED33710, 16 bytes long.
 Data: <&#216;a&#209;.d           > D8 61 D1 2E 64 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002642ED33260, 16 bytes long.
 Data: <&#176;a&#209;.d           > B0 61 D1 2E 64 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002642ED33210, 16 bytes long.
 Data: < a&#209;.d           > 88 61 D1 2E 64 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002642ED32FE0, 16 bytes long.
 Data: <`a&#209;.d           > 60 61 D1 2E 64 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002642ED32D60, 16 bytes long.
 Data: <8a&#209;.d           > 38 61 D1 2E 64 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002642ED2B9D0, 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 0x000002642ED32A90, 16 bytes long.
 Data: < a&#209;.d           > 10 61 D1 2E 64 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002642ED16110, 320 bytes long.
 Data: < *&#211;.d   &#208;&#185;&#210;.d   > 90 2A D3 2E 64 02 00 00 D0 B9 D2 2E 64 02 00 00 
{274} normal block at 0x000002642ED32D10, 16 bytes long.
 Data: < @&#211;.d           > 10 40 D3 2E 64 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002642ED32C20, 16 bytes long.
 Data: <&#232;?&#211;.d           > E8 3F D3 2E 64 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002642ED2C6F0, 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 0x000002642ED32C70, 16 bytes long.
 Data: <&#192;?&#211;.d           > C0 3F D3 2E 64 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002642ED2C2D0, 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 0x000002642ED336C0, 16 bytes long.
 Data: < ?&#211;.d           > 08 3F D3 2E 64 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002642ED32BD0, 16 bytes long.
 Data: <&#224;>&#211;.d           > E0 3E D3 2E 64 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002642ED32B30, 16 bytes long.
 Data: <&#184;>&#211;.d           > B8 3E D3 2E 64 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002642ED33670, 16 bytes long.
 Data: < >&#211;.d           > 90 3E D3 2E 64 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002642ED33300, 16 bytes long.
 Data: <h>&#211;.d           > 68 3E D3 2E 64 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002642ED32900, 16 bytes long.
 Data: <@>&#211;.d           > 40 3E D3 2E 64 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002642ED32A40, 16 bytes long.
 Data: <&#208;&#221;&#210;.d           > D0 DD D2 2E 64 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002642ED2DDD0, 40 bytes long.
 Data: <@*&#211;.d   &#160;q&#213;.d   > 40 2A D3 2E 64 02 00 00 A0 71 D5 2E 64 02 00 00 
{260} normal block at 0x000002642ED331C0, 16 bytes long.
 Data: < >&#211;.d           > 20 3E D3 2E 64 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002642ED32860, 16 bytes long.
 Data: <&#248;=&#211;.d           > F8 3D D3 2E 64 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002642ED2C390, 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 0x000002642ED33620, 16 bytes long.
 Data: <&#208;=&#211;.d           > D0 3D D3 2E 64 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002642ED33DD0, 992 bytes long.
 Data: < 6&#211;.d    &#195;&#210;.d   > 20 36 D3 2E 64 02 00 00 90 C3 D2 2E 64 02 00 00 
{92} normal block at 0x000002642ED2C3F0, 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 0x000002642ED26EB0, 16 bytes long.
 Data: < &#220;&#210;.d           > 80 DC D2 2E 64 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000002642ED2DC80, 40 bytes long.
 Data: <&#176;n&#210;.d   &#240;&#195;&#210;.d   > B0 6E D2 2E 64 02 00 00 F0 C3 D2 2E 64 02 00 00 
{69} normal block at 0x000002642ED27180, 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 0x000002642ED275E0, 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 0x000002642ED27860, 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 0x000002642ED274F0, 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 0x000002642ED26D20, 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 0x000002642ED27590, 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 0x000002642ED26CD0, 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 0x000002642ED27220, 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 0x000002642ED273B0, 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 0x000002642ED27540, 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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