Task 38688031

Name test_729-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND7950_0
Workunit 31629400
Created 28 Oct 2026, 11:11:32 UTC
Sent 28 Oct 2026, 11:11:39 UTC
Report deadline 2 Nov 2026, 11:11:39 UTC
Received 28 Oct 2026, 12:31:16 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 629400
Run time 1 hours 6 min 53 sec
CPU time 1 hours 2 min 23 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 4,377.36 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 702.53 MB
Peak swap size 2.03 GB
Peak disk usage 4.18 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
13:25:17 (7132): wrapper (7.9.26016): starting
13:25:17 (7132): 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
13:25:19 (7132): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:25:19 (7132): 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\1\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\1\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
14:30:29 (7132): C:/Windows/system32/cmd.exe exited; CPU time 3743.265625
14:30:29 (7132): called boinc_finish(0)
0 bytes in 0 Free Blocks.
346 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: 50146510 bytes.
Dumping objects ->
{3835460} normal block at 0x0000020DB04F5880, 48 bytes long.
 Data: <PATH=E:\Boinc\sl> 50 41 54 48 3D 45 3A 5C 42 6F 69 6E 63 5C 73 6C 
{3835449} normal block at 0x0000020DB26934A0, 32 bytes long.
 Data: <HOME=E:\Boinc\sl> 48 4F 4D 45 3D 45 3A 5C 42 6F 69 6E 63 5C 73 6C 
{3835438} normal block at 0x0000020DB26936E0, 32 bytes long.
 Data: <TMP=E:\Boinc\slo> 54 4D 50 3D 45 3A 5C 42 6F 69 6E 63 5C 73 6C 6F 
{3835427} normal block at 0x0000020DB2693BC0, 32 bytes long.
 Data: <TEMP=E:\Boinc\sl> 54 45 4D 50 3D 45 3A 5C 42 6F 69 6E 63 5C 73 6C 
{3835416} normal block at 0x0000020DB2692F00, 32 bytes long.
 Data: <TMPDIR=E:\Boinc\> 54 4D 50 44 49 52 3D 45 3A 5C 42 6F 69 6E 63 5C 
{3835385} normal block at 0x0000020DB04F55E0, 48 bytes long.
 Data: <PATH=E:\Boinc\sl> 50 41 54 48 3D 45 3A 5C 42 6F 69 6E 63 5C 73 6C 
{3835374} normal block at 0x0000020DB25FBFF0, 85 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) : {3835371} normal block at 0x0000020DB04C7650, 8 bytes long.
 Data: <  J&#176;    > 00 00 4A B0 0D 02 00 00 
{3834651} normal block at 0x0000020DB25FBEB0, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833949} normal block at 0x0000020DB04C73D0, 8 bytes long.
 Data: <&#208; i&#178;    > D0 88 69 B2 0D 02 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x0000020DB04D08A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020DB04B8CD0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{290} normal block at 0x0000020DB04D2970, 16 bytes long.
 Data: < 1M&#176;            > 08 31 4D B0 0D 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000020DB04D22E0, 16 bytes long.
 Data: <&#224;0M&#176;            > E0 30 4D B0 0D 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000020DB04CC380, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{287} normal block at 0x0000020DB04D1CA0, 16 bytes long.
 Data: <&#184;0M&#176;            > B8 30 4D B0 0D 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000020DB04D21F0, 16 bytes long.
 Data: < 0M&#176;            > 90 30 4D B0 0D 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000020DB04D2920, 16 bytes long.
 Data: <h0M&#176;            > 68 30 4D B0 0D 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020DB04D2740, 16 bytes long.
 Data: <@0M&#176;            > 40 30 4D B0 0D 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020DB04CD970, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{282} normal block at 0x0000020DB04D2240, 16 bytes long.
 Data: <H&#192;K&#176;            > 48 C0 4B B0 0D 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020DB04CBA80, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{280} normal block at 0x0000020DB04D1C50, 16 bytes long.
 Data: < &#192;K&#176;            > 20 C0 4B B0 0D 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000020DB04D1E30, 16 bytes long.
 Data: <&#248;&#191;K&#176;            > F8 BF 4B B0 0D 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000020DB04D1A70, 16 bytes long.
 Data: <&#208;&#191;K&#176;            > D0 BF 4B B0 0D 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020DB04D26F0, 16 bytes long.
 Data: <&#168;&#191;K&#176;            > A8 BF 4B B0 0D 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000020DB04D2150, 16 bytes long.
 Data: < &#191;K&#176;            > 80 BF 4B B0 0D 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020DB04D2420, 16 bytes long.
 Data: <X&#191;K&#176;            > 58 BF 4B B0 0D 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000020DB04CC080, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{272} normal block at 0x0000020DB04D2290, 16 bytes long.
 Data: <0&#191;K&#176;            > 30 BF 4B B0 0D 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000020DB04BBF30, 320 bytes long.
 Data: < "M&#176;     &#192;L&#176;    > 90 22 4D B0 0D 02 00 00 80 C0 4C B0 0D 02 00 00 
{270} normal block at 0x0000020DB04D26A0, 16 bytes long.
 Data: < 0M&#176;            > 20 30 4D B0 0D 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020DB04D2560, 16 bytes long.
 Data: <&#248;/M&#176;            > F8 2F 4D B0 0D 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000020DB04CB9C0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{267} normal block at 0x0000020DB04D24C0, 16 bytes long.
 Data: <&#208;/M&#176;            > D0 2F 4D B0 0D 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000020DB04CBD80, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{265} normal block at 0x0000020DB04D2650, 16 bytes long.
 Data: < /M&#176;            > 18 2F 4D B0 0D 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020DB04D2100, 16 bytes long.
 Data: <&#240;.M&#176;            > F0 2E 4D B0 0D 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000020DB04D2880, 16 bytes long.
 Data: <&#200;.M&#176;            > C8 2E 4D B0 0D 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000020DB04D21A0, 16 bytes long.
 Data: <&#160;.M&#176;            > A0 2E 4D B0 0D 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000020DB04D2010, 16 bytes long.
 Data: <x.M&#176;            > 78 2E 4D B0 0D 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000020DB04D1D40, 16 bytes long.
 Data: <P.M&#176;            > 50 2E 4D B0 0D 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000020DB04D1DE0, 16 bytes long.
 Data: < &#217;L&#176;            > 00 D9 4C B0 0D 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000020DB04CD900, 40 bytes long.
 Data: <&#224; M&#176;    &#224;UO&#176;    > E0 1D 4D B0 0D 02 00 00 E0 55 4F B0 0D 02 00 00 
{256} normal block at 0x0000020DB04D1AC0, 16 bytes long.
 Data: <0.M&#176;            > 30 2E 4D B0 0D 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000020DB04D2510, 16 bytes long.
 Data: < .M&#176;            > 08 2E 4D B0 0D 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000020DB04CBA20, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{253} normal block at 0x0000020DB04D23D0, 16 bytes long.
 Data: <&#224;-M&#176;            > E0 2D 4D B0 0D 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000020DB04D2DE0, 992 bytes long.
 Data: <&#208;#M&#176;     &#186;L&#176;    > D0 23 4D B0 0D 02 00 00 20 BA 4C B0 0D 02 00 00 
{88} normal block at 0x0000020DB04CBBA0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{87} normal block at 0x0000020DB04C7420, 16 bytes long.
 Data: <0&#212;L&#176;            > 30 D4 4C B0 0D 02 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x0000020DB04CD430, 40 bytes long.
 Data: < tL&#176;    &#160;&#187;L&#176;    > 20 74 4C B0 0D 02 00 00 A0 BB 4C B0 0D 02 00 00 
{65} normal block at 0x0000020DB04C6B10, 16 bytes long.
 Data: < &#234;R&#204;&#247;           > 80 EA 52 CC F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000020DB04C71F0, 16 bytes long.
 Data: <@&#233;R&#204;&#247;           > 40 E9 52 CC F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000020DB04C7150, 16 bytes long.
 Data: <&#248;WO&#204;&#247;           > F8 57 4F CC F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000020DB04C7A10, 16 bytes long.
 Data: <&#216;WO&#204;&#247;           > D8 57 4F CC F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000020DB04C7100, 16 bytes long.
 Data: <P O&#204;&#247;           > 50 04 4F CC F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000020DB04C70B0, 16 bytes long.
 Data: <0 O&#204;&#247;           > 30 04 4F CC F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000020DB04C6D40, 16 bytes long.
 Data: <&#224; O&#204;&#247;           > E0 02 4F CC F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000020DB04C7600, 16 bytes long.
 Data: <  O&#204;&#247;           > 10 04 4F CC F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000020DB04C6F70, 16 bytes long.
 Data: <p O&#204;&#247;           > 70 04 4F CC F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000020DB04C6F20, 16 bytes long.
 Data: < &#192;M&#204;&#247;           > 18 C0 4D CC F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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