Task 38669398

Name test_552-GPUGRID_TEST_ATM_40STEP_20261023-7-40-RND0621_0
Workunit 31611751
Created 25 Oct 2026, 14:28:22 UTC
Sent 25 Oct 2026, 14:28:26 UTC
Report deadline 30 Oct 2026, 14:28:26 UTC
Received 25 Oct 2026, 14:59:41 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 613450
Run time 27 min 1 sec
CPU time 25 min 23 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 16,492.58 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 748.17 MB
Peak swap size 9.95 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
08:30:15 (5432): wrapper (7.9.26016): starting
08:30:15 (5432): 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
08:30:16 (5432): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:30:16 (5432): 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 'E:\BOINC\slots\0\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 'E:\BOINC\slots\0\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
08:56:35 (5432): C:/Windows/system32/cmd.exe exited; CPU time 1523.187500
08:56:35 (5432): 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: 27903781 bytes.
Dumping objects ->
{3835435} normal block at 0x0000027432C56970, 48 bytes long.
 Data: <PATH=E:\BOINC\sl> 50 41 54 48 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835424} normal block at 0x00000274348D34B0, 32 bytes long.
 Data: <HOME=E:\BOINC\sl> 48 4F 4D 45 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835413} normal block at 0x00000274348D2CD0, 32 bytes long.
 Data: <TMP=E:\BOINC\slo> 54 4D 50 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{3835402} normal block at 0x00000274348D3D50, 32 bytes long.
 Data: <TEMP=E:\BOINC\sl> 54 45 4D 50 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835391} normal block at 0x00000274348D3690, 32 bytes long.
 Data: <TMPDIR=E:\BOINC\> 54 4D 50 44 49 52 3D 45 3A 5C 42 4F 49 4E 43 5C 
{3835360} normal block at 0x0000027432C56890, 48 bytes long.
 Data: <PATH=E:\BOINC\sl> 50 41 54 48 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 
..\api\boinc_api.cpp(309) : {3835347} normal block at 0x0000027432C4F190, 8 bytes long.
 Data: <  &#192;2t   > 00 00 C0 32 74 02 00 00 
{3833963} normal block at 0x0000027432C4EB50, 8 bytes long.
 Data: < &#234;&#210;2t   > 20 EA D2 32 74 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000027432C41A50, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000027432C42A40, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x0000027432C57670, 16 bytes long.
 Data: < &#130;&#197;2t           > 98 82 C5 32 74 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000027432C57620, 16 bytes long.
 Data: <p&#130;&#197;2t           > 70 82 C5 32 74 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000027432C511C0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x0000027432C575D0, 16 bytes long.
 Data: <H&#130;&#197;2t           > 48 82 C5 32 74 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000027432C577B0, 16 bytes long.
 Data: < &#130;&#197;2t           > 20 82 C5 32 74 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000027432C57580, 16 bytes long.
 Data: <&#248; &#197;2t           > F8 81 C5 32 74 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000027432C57300, 16 bytes long.
 Data: <&#208; &#197;2t           > D0 81 C5 32 74 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000027432C56C10, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x0000027432C574E0, 16 bytes long.
 Data: < d&#197;2t           > 88 64 C5 32 74 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000027432C51400, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x0000027432C57260, 16 bytes long.
 Data: <`d&#197;2t           > 60 64 C5 32 74 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000027432C57D50, 16 bytes long.
 Data: <8d&#197;2t           > 38 64 C5 32 74 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000027432C57080, 16 bytes long.
 Data: < d&#197;2t           > 10 64 C5 32 74 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000027432C57120, 16 bytes long.
 Data: <&#232;c&#197;2t           > E8 63 C5 32 74 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000027432C57210, 16 bytes long.
 Data: <&#192;c&#197;2t           > C0 63 C5 32 74 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000027432C578A0, 16 bytes long.
 Data: < c&#197;2t           > 98 63 C5 32 74 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000027432C50860, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x0000027432C57490, 16 bytes long.
 Data: <pc&#197;2t           > 70 63 C5 32 74 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000027432C56370, 320 bytes long.
 Data: < t&#197;2t   ` &#197;2t   > 90 74 C5 32 74 02 00 00 60 08 C5 32 74 02 00 00 
{277} normal block at 0x0000027432C56EF0, 16 bytes long.
 Data: <&#176; &#197;2t           > B0 81 C5 32 74 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000027432C57530, 16 bytes long.
 Data: <  &#197;2t           > 88 81 C5 32 74 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000027432C50680, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x0000027432C57C10, 16 bytes long.
 Data: <` &#197;2t           > 60 81 C5 32 74 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000027432C509E0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x0000027432C57D00, 16 bytes long.
 Data: <&#168; &#197;2t           > A8 80 C5 32 74 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000027432C57AD0, 16 bytes long.
 Data: <  &#197;2t           > 80 80 C5 32 74 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000027432C570D0, 16 bytes long.
 Data: <X &#197;2t           > 58 80 C5 32 74 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000027432C57A30, 16 bytes long.
 Data: <0 &#197;2t           > 30 80 C5 32 74 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000027432C57350, 16 bytes long.
 Data: <  &#197;2t           > 08 80 C5 32 74 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000027432C571C0, 16 bytes long.
 Data: <&#224; &#197;2t           > E0 7F C5 32 74 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000027432C57C60, 16 bytes long.
 Data: <&#176;g&#197;2t           > B0 67 C5 32 74 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000027432C567B0, 40 bytes long.
 Data: <`|&#197;2t    h&#197;2t   > 60 7C C5 32 74 02 00 00 90 68 C5 32 74 02 00 00 
{263} normal block at 0x0000027432C57B20, 16 bytes long.
 Data: <&#192; &#197;2t           > C0 7F C5 32 74 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000027432C579E0, 16 bytes long.
 Data: <  &#197;2t           > 98 7F C5 32 74 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000027432C50EC0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x0000027432C56EA0, 16 bytes long.
 Data: <p &#197;2t           > 70 7F C5 32 74 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000027432C57F70, 992 bytes long.
 Data: <&#160;n&#197;2t   &#192; &#197;2t   > A0 6E C5 32 74 02 00 00 C0 0E C5 32 74 02 00 00 
{95} normal block at 0x0000027432C51280, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x0000027432C4E970, 16 bytes long.
 Data: <@#&#197;2t           > 40 23 C5 32 74 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x0000027432C52340, 40 bytes long.
 Data: <p&#233;&#196;2t     &#197;2t   > 70 E9 C4 32 74 02 00 00 80 12 C5 32 74 02 00 00 
{72} normal block at 0x0000027432C4E4C0, 16 bytes long.
 Data: < &#234;%c&#246;           > 80 EA 25 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000027432C4E560, 16 bytes long.
 Data: <@&#233;%c&#246;           > 40 E9 25 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000027432C4E8D0, 16 bytes long.
 Data: <&#248;W"c&#246;           > F8 57 22 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000027432C4E3D0, 16 bytes long.
 Data: <&#216;W"c&#246;           > D8 57 22 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000027432C4EBF0, 16 bytes long.
 Data: <P "c&#246;           > 50 04 22 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000027432C4E920, 16 bytes long.
 Data: <0 "c&#246;           > 30 04 22 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000027432C4EEC0, 16 bytes long.
 Data: <&#224; "c&#246;           > E0 02 22 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000027432C4F0A0, 16 bytes long.
 Data: <  "c&#246;           > 10 04 22 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000027432C4EE70, 16 bytes long.
 Data: <p "c&#246;           > 70 04 22 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000027432C4E5B0, 16 bytes long.
 Data: < &#192; c&#246;           > 18 C0 20 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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