Task 38677763

Name test_766-GPUGRID_TEST_ATM_40STEP_20261023-17-40-RND4433_0
Workunit 31619619
Created 26 Oct 2026, 15:19:10 UTC
Sent 26 Oct 2026, 15:19:14 UTC
Report deadline 31 Oct 2026, 15:19:14 UTC
Received 26 Oct 2026, 15:38:42 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 650591
Run time 18 min 27 sec
CPU time 17 min 28 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 746.69 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>
16:20:16 (4240): wrapper (7.9.26016): starting
16:20:16 (4240): 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
16:20:17 (4240): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:20:17 (4240): 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\2\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\2\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
16:37:59 (4240): C:/Windows/system32/cmd.exe exited; CPU time 1048.953125
16:37:59 (4240): 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: 16182017 bytes.
Dumping objects ->
{3835187} normal block at 0x000001ED1D186400, 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 0x000001ED1EE90DB0, 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 0x000001ED1EE90E70, 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 0x000001ED1EE91A10, 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 0x000001ED1EE91650, 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 0x000001ED1D186390, 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 0x000001ED1D17D9E0, 8 bytes long.
 Data: <  T &#237;   > 00 00 54 1D ED 01 00 00 
{3833951} normal block at 0x000001ED1D17D210, 8 bytes long.
 Data: <&#176;`&#237; &#237;   > B0 60 ED 1E ED 01 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000001ED1D1811C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001ED1D175C70, 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 0x000001ED1D185100, 16 bytes long.
 Data: <8_  &#237;           > 38 5F 18 1D ED 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001ED1D1859C0, 16 bytes long.
 Data: < _  &#237;           > 10 5F 18 1D ED 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001ED1D17EB90, 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 0x000001ED1D185150, 16 bytes long.
 Data: <&#232;^  &#237;           > E8 5E 18 1D ED 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001ED1D185970, 16 bytes long.
 Data: <&#192;^  &#237;           > C0 5E 18 1D ED 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001ED1D185A10, 16 bytes long.
 Data: < ^  &#237;           > 98 5E 18 1D ED 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001ED1D1851F0, 16 bytes long.
 Data: <p^  &#237;           > 70 5E 18 1D ED 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001ED1D1860F0, 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 0x000001ED1D185AB0, 16 bytes long.
 Data: < &#142;  &#237;           > 88 8E 17 1D ED 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001ED1D17EDD0, 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 0x000001ED1D1858D0, 16 bytes long.
 Data: <`&#142;  &#237;           > 60 8E 17 1D ED 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001ED1D184E30, 16 bytes long.
 Data: <8&#142;  &#237;           > 38 8E 17 1D ED 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001ED1D184E80, 16 bytes long.
 Data: < &#142;  &#237;           > 10 8E 17 1D ED 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001ED1D1850B0, 16 bytes long.
 Data: <&#232;&#141;  &#237;           > E8 8D 17 1D ED 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001ED1D184F20, 16 bytes long.
 Data: <&#192;&#141;  &#237;           > C0 8D 17 1D ED 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001ED1D184C50, 16 bytes long.
 Data: < &#141;  &#237;           > 98 8D 17 1D ED 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001ED1D17F670, 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 0x000001ED1D185830, 16 bytes long.
 Data: <p&#141;  &#237;           > 70 8D 17 1D ED 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001ED1D178D70, 320 bytes long.
 Data: <0X  &#237;   p&#246;  &#237;   > 30 58 18 1D ED 01 00 00 70 F6 17 1D ED 01 00 00 
{271} normal block at 0x000001ED1D1857E0, 16 bytes long.
 Data: <P^  &#237;           > 50 5E 18 1D ED 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001ED1D185740, 16 bytes long.
 Data: <(^  &#237;           > 28 5E 18 1D ED 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001ED1D17F610, 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 0x000001ED1D1856A0, 16 bytes long.
 Data: < ^  &#237;           > 00 5E 18 1D ED 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001ED1D17ED10, 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 0x000001ED1D185060, 16 bytes long.
 Data: <H]  &#237;           > 48 5D 18 1D ED 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001ED1D184CA0, 16 bytes long.
 Data: < ]  &#237;           > 20 5D 18 1D ED 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001ED1D185650, 16 bytes long.
 Data: <&#248;\  &#237;           > F8 5C 18 1D ED 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001ED1D185880, 16 bytes long.
 Data: <&#208;\  &#237;           > D0 5C 18 1D ED 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001ED1D185B00, 16 bytes long.
 Data: <&#168;\  &#237;           > A8 5C 18 1D ED 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001ED1D185010, 16 bytes long.
 Data: < \  &#237;           > 80 5C 18 1D ED 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001ED1D185920, 16 bytes long.
 Data: <0&#203;  &#237;           > 30 CB 16 1D ED 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001ED1D16CB30, 40 bytes long.
 Data: < Y  &#237;    c  &#237;   > 20 59 18 1D ED 01 00 00 90 63 18 1D ED 01 00 00 
{257} normal block at 0x000001ED1D1856F0, 16 bytes long.
 Data: <`\  &#237;           > 60 5C 18 1D ED 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001ED1D185290, 16 bytes long.
 Data: <8\  &#237;           > 38 5C 18 1D ED 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001ED1D17F9D0, 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 0x000001ED1D1855B0, 16 bytes long.
 Data: < \  &#237;           > 10 5C 18 1D ED 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001ED1D185C10, 992 bytes long.
 Data: <&#176;U  &#237;   &#208;&#249;  &#237;   > B0 55 18 1D ED 01 00 00 D0 F9 17 1D ED 01 00 00 
{89} normal block at 0x000001ED1D17F850, 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 0x000001ED1D17DCB0, 16 bytes long.
 Data: <&#240;&#224;  &#237;           > F0 E0 16 1D ED 01 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x000001ED1D16E0F0, 40 bytes long.
 Data: <&#176;&#220;  &#237;   P&#248;  &#237;   > B0 DC 17 1D ED 01 00 00 50 F8 17 1D ED 01 00 00 
{66} normal block at 0x000001ED1D17D8A0, 16 bytes long.
 Data: < &#234;&#135;&#239;&#246;           > 80 EA 87 EF F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001ED1D17D170, 16 bytes long.
 Data: <@&#233;&#135;&#239;&#246;           > 40 E9 87 EF F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001ED1D17DB20, 16 bytes long.
 Data: <&#248;W&#132;&#239;&#246;           > F8 57 84 EF F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001ED1D17D4E0, 16 bytes long.
 Data: <&#216;W&#132;&#239;&#246;           > D8 57 84 EF F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001ED1D17DBC0, 16 bytes long.
 Data: <P &#132;&#239;&#246;           > 50 04 84 EF F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001ED1D17D800, 16 bytes long.
 Data: <0 &#132;&#239;&#246;           > 30 04 84 EF F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001ED1D17D120, 16 bytes long.
 Data: <&#224; &#132;&#239;&#246;           > E0 02 84 EF F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001ED1D17DC10, 16 bytes long.
 Data: <  &#132;&#239;&#246;           > 10 04 84 EF F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001ED1D17D490, 16 bytes long.
 Data: <p &#132;&#239;&#246;           > 70 04 84 EF F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001ED1D17D530, 16 bytes long.
 Data: < &#192;&#130;&#239;&#246;           > 18 C0 82 EF F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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