Task 38668380

Name test_122-GPUGRID_TEST_ATM_40STEP_20261023-11-40-RND9572_0
Workunit 31610912
Created 25 Oct 2026, 11:34:29 UTC
Sent 25 Oct 2026, 11:34:52 UTC
Report deadline 30 Oct 2026, 11:34:52 UTC
Received 25 Oct 2026, 12:03:51 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 650591
Run time 28 min
CPU time 27 min 3 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 32,075.31 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 744.41 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>
12:35:50 (2608): wrapper (7.9.26016): starting
12:35:50 (2608): 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
12:35:51 (2608): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:35:51 (2608): 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 'G:\BOINC\DATA\slots\8\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 'G:\BOINC\DATA\slots\8\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
13:03:05 (2608): C:/Windows/system32/cmd.exe exited; CPU time 1623.296875
13:03:05 (2608): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 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: 26136397 bytes.
Dumping objects ->
{3835187} normal block at 0x000002104ABD7E80, 48 bytes long.
 Data: <PATH=G:\BOINC\DA> 50 41 54 48 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41 
{3835176} normal block at 0x000002104C8F35F0, 32 bytes long.
 Data: <HOME=G:\BOINC\DA> 48 4F 4D 45 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41 
{3835165} normal block at 0x000002104C8F3C50, 32 bytes long.
 Data: <TMP=G:\BOINC\DAT> 54 4D 50 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41 54 
{3835154} normal block at 0x000002104C8F32F0, 32 bytes long.
 Data: <TEMP=G:\BOINC\DA> 54 45 4D 50 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41 
{3835143} normal block at 0x000002104C8F3230, 32 bytes long.
 Data: <TMPDIR=G:\BOINC\> 54 4D 50 44 49 52 3D 47 3A 5C 42 4F 49 4E 43 5C 
{3835112} normal block at 0x000002104ABD7DA0, 48 bytes long.
 Data: <PATH=G:\BOINC\DA> 50 41 54 48 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41 
..\api\boinc_api.cpp(309) : {3835099} normal block at 0x000002104ABCF490, 8 bytes long.
 Data: <   K    > 00 00 19 4B 10 02 00 00 
{3833951} normal block at 0x000002104ABCF080, 8 bytes long.
 Data: <&#160;` J    > A0 60 BD 4A 10 02 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000002104ABD2AE0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002104ABC87D0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{291} normal block at 0x000002104ABD6F20, 16 bytes long.
 Data: <Hy J            > 48 79 BD 4A 10 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002104ABD73D0, 16 bytes long.
 Data: < y J            > 20 79 BD 4A 10 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002104ABD1090, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{288} normal block at 0x000002104ABD6D40, 16 bytes long.
 Data: <&#248;x J            > F8 78 BD 4A 10 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002104ABD6ED0, 16 bytes long.
 Data: <&#208;x J            > D0 78 BD 4A 10 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002104ABD6A70, 16 bytes long.
 Data: <&#168;x J            > A8 78 BD 4A 10 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002104ABD72E0, 16 bytes long.
 Data: < x J            > 80 78 BD 4A 10 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002104ABD7D30, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{283} normal block at 0x000002104ABD7470, 16 bytes long.
 Data: <&#216; &#188;J            > D8 05 BC 4A 10 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002104ABD1030, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{281} normal block at 0x000002104ABD6C50, 16 bytes long.
 Data: <&#176; &#188;J            > B0 05 BC 4A 10 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002104ABD7240, 16 bytes long.
 Data: <  &#188;J            > 88 05 BC 4A 10 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002104ABD7290, 16 bytes long.
 Data: <` &#188;J            > 60 05 BC 4A 10 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002104ABD6980, 16 bytes long.
 Data: <8 &#188;J            > 38 05 BC 4A 10 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002104ABD6C00, 16 bytes long.
 Data: <  &#188;J            > 10 05 BC 4A 10 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002104ABD6B10, 16 bytes long.
 Data: <&#232; &#188;J            > E8 04 BC 4A 10 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002104ABD1510, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{273} normal block at 0x000002104ABD66B0, 16 bytes long.
 Data: <&#192; &#188;J            > C0 04 BC 4A 10 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002104ABC04C0, 320 bytes long.
 Data: <&#176;f J       J    > B0 66 BD 4A 10 02 00 00 10 15 BD 4A 10 02 00 00 
{271} normal block at 0x000002104ABD6700, 16 bytes long.
 Data: <`x J            > 60 78 BD 4A 10 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002104ABD6660, 16 bytes long.
 Data: <8x J            > 38 78 BD 4A 10 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002104ABD0DF0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{268} normal block at 0x000002104ABD7100, 16 bytes long.
 Data: < x J            > 10 78 BD 4A 10 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002104ABD0CD0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{266} normal block at 0x000002104ABD6930, 16 bytes long.
 Data: <Xw J            > 58 77 BD 4A 10 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002104ABD6890, 16 bytes long.
 Data: <0w J            > 30 77 BD 4A 10 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002104ABD6BB0, 16 bytes long.
 Data: < w J            > 08 77 BD 4A 10 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002104ABD71A0, 16 bytes long.
 Data: <&#224;v J            > E0 76 BD 4A 10 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002104ABD6FC0, 16 bytes long.
 Data: <&#184;v J            > B8 76 BD 4A 10 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002104ABD71F0, 16 bytes long.
 Data: < v J            > 90 76 BD 4A 10 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002104ABD6B60, 16 bytes long.
 Data: <@&#173;&#188;J            > 40 AD BC 4A 10 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002104ABCAD40, 40 bytes long.
 Data: <`k J    &#160;} J    > 60 6B BD 4A 10 02 00 00 A0 7D BD 4A 10 02 00 00 
{257} normal block at 0x000002104ABD6E80, 16 bytes long.
 Data: <pv J            > 70 76 BD 4A 10 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002104ABD6CF0, 16 bytes long.
 Data: <Hv J            > 48 76 BD 4A 10 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002104ABD0D90, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{254} normal block at 0x000002104ABD7010, 16 bytes long.
 Data: < v J            > 20 76 BD 4A 10 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000002104ABD7620, 992 bytes long.
 Data: < p J       J    > 10 70 BD 4A 10 02 00 00 90 0D BD 4A 10 02 00 00 
{89} normal block at 0x000002104ABD12D0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{88} normal block at 0x000002104ABCF030, 16 bytes long.
 Data: <&#208;&#197;&#187;J            > D0 C5 BB 4A 10 02 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x000002104ABBC5D0, 40 bytes long.
 Data: <0&#240;&#188;J    &#208;  J    > 30 F0 BC 4A 10 02 00 00 D0 12 BD 4A 10 02 00 00 
{66} normal block at 0x000002104ABCF350, 16 bytes long.
 Data: < &#234; &#236;&#246;           > 80 EA 90 EC F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002104ABCF580, 16 bytes long.
 Data: <@&#233; &#236;&#246;           > 40 E9 90 EC F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002104ABCF440, 16 bytes long.
 Data: <&#248;W&#141;&#236;&#246;           > F8 57 8D EC F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002104ABCF3F0, 16 bytes long.
 Data: <&#216;W&#141;&#236;&#246;           > D8 57 8D EC F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002104ABCF7B0, 16 bytes long.
 Data: <P &#141;&#236;&#246;           > 50 04 8D EC F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002104ABCFC10, 16 bytes long.
 Data: <0 &#141;&#236;&#246;           > 30 04 8D EC F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002104ABCF8A0, 16 bytes long.
 Data: <&#224; &#141;&#236;&#246;           > E0 02 8D EC F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002104ABCEFE0, 16 bytes long.
 Data: <  &#141;&#236;&#246;           > 10 04 8D EC F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002104ABCF620, 16 bytes long.
 Data: <p &#141;&#236;&#246;           > 70 04 8D EC F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000002104ABCFA30, 16 bytes long.
 Data: < &#192;&#139;&#236;&#246;           > 18 C0 8B EC F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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