Task 38682824

Name test_918-GPUGRID_TEST_ATM_40STEP_20261023-37-40-RND4530_0
Workunit 31624417
Created 27 Oct 2026, 9:17:39 UTC
Sent 27 Oct 2026, 9:17:43 UTC
Report deadline 1 Nov 2026, 9:17:43 UTC
Received 27 Oct 2026, 10:25:54 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 629400
Run time 1 hours 4 min 24 sec
CPU time 1 hours 1 min 32 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 686.09 MB
Peak swap size 2.04 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:20:49 (14572): wrapper (7.9.26016): starting
11:20:49 (14572): 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
11:20:51 (14572): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:20:51 (14572): 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\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 'E:\Boinc\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
12:25:12 (14572): C:/Windows/system32/cmd.exe exited; CPU time 3692.890625
12:25:12 (14572): 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: 48939082 bytes.
Dumping objects ->
{3835460} normal block at 0x0000020DD8215F10, 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 0x0000020DDA342240, 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 0x0000020DDA3421E0, 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 0x0000020DDA341B80, 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 0x0000020DDA342A80, 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 0x0000020DD8215650, 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 0x0000020DDA2AB690, 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 0x0000020DD81E6C50, 8 bytes long.
 Data: <   &#216;    > 00 00 15 D8 0D 02 00 00 
{3834651} normal block at 0x0000020DDA2ABFF0, 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 0x0000020DD81E7290, 8 bytes long.
 Data: <&#224; 4&#218;    > E0 90 34 DA 0D 02 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x0000020DD81F08A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020DD81D8CD0, 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 0x0000020DD81F25B0, 16 bytes long.
 Data: < 1 &#216;            > 08 31 1F D8 0D 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000020DD81F1BB0, 16 bytes long.
 Data: <&#224;0 &#216;            > E0 30 1F D8 0D 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000020DD81EC7A0, 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 0x0000020DD81F1C50, 16 bytes long.
 Data: <&#184;0 &#216;            > B8 30 1F D8 0D 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000020DD81F2510, 16 bytes long.
 Data: < 0 &#216;            > 90 30 1F D8 0D 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000020DD81F1B60, 16 bytes long.
 Data: <h0 &#216;            > 68 30 1F D8 0D 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020DD81F1C00, 16 bytes long.
 Data: <@0 &#216;            > 40 30 1F D8 0D 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020DD81EDB30, 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 0x0000020DD81F2420, 16 bytes long.
 Data: <H&#192; &#216;            > 48 C0 1D D8 0D 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020DD81EC6E0, 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 0x0000020DD81F1D90, 16 bytes long.
 Data: < &#192; &#216;            > 20 C0 1D D8 0D 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000020DD81F1B10, 16 bytes long.
 Data: <&#248;&#191; &#216;            > F8 BF 1D D8 0D 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000020DD81F23D0, 16 bytes long.
 Data: <&#208;&#191; &#216;            > D0 BF 1D D8 0D 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020DD81F21F0, 16 bytes long.
 Data: <&#168;&#191; &#216;            > A8 BF 1D D8 0D 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000020DD81F1F70, 16 bytes long.
 Data: < &#191; &#216;            > 80 BF 1D D8 0D 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020DD81F1AC0, 16 bytes long.
 Data: <X&#191; &#216;            > 58 BF 1D D8 0D 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000020DD81EC380, 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 0x0000020DD81F21A0, 16 bytes long.
 Data: <0&#191; &#216;            > 30 BF 1D D8 0D 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000020DD81DBF30, 320 bytes long.
 Data: <&#160;! &#216;     &#195; &#216;    > A0 21 1F D8 0D 02 00 00 80 C3 1E D8 0D 02 00 00 
{270} normal block at 0x0000020DD81F22E0, 16 bytes long.
 Data: < 0 &#216;            > 20 30 1F D8 0D 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020DD81F24C0, 16 bytes long.
 Data: <&#248;/ &#216;            > F8 2F 1F D8 0D 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000020DD81EC320, 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 0x0000020DD81F1A20, 16 bytes long.
 Data: <&#208;/ &#216;            > D0 2F 1F D8 0D 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000020DD81EC200, 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 0x0000020DD81F2150, 16 bytes long.
 Data: < / &#216;            > 18 2F 1F D8 0D 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020DD81F2100, 16 bytes long.
 Data: <&#240;. &#216;            > F0 2E 1F D8 0D 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000020DD81F2380, 16 bytes long.
 Data: <&#200;. &#216;            > C8 2E 1F D8 0D 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000020DD81F2060, 16 bytes long.
 Data: <&#160;. &#216;            > A0 2E 1F D8 0D 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000020DD81F2830, 16 bytes long.
 Data: <x. &#216;            > 78 2E 1F D8 0D 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000020DD81F1ED0, 16 bytes long.
 Data: <P. &#216;            > 50 2E 1F D8 0D 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000020DD81F2330, 16 bytes long.
 Data: <P&#218; &#216;            > 50 DA 1E D8 0D 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000020DD81EDA50, 40 bytes long.
 Data: <0# &#216;    PV!&#216;    > 30 23 1F D8 0D 02 00 00 50 56 21 D8 0D 02 00 00 
{256} normal block at 0x0000020DD81F2560, 16 bytes long.
 Data: <0. &#216;            > 30 2E 1F D8 0D 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000020DD81F1E30, 16 bytes long.
 Data: < . &#216;            > 08 2E 1F D8 0D 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000020DD81EBAE0, 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 0x0000020DD81F2010, 16 bytes long.
 Data: <&#224;- &#216;            > E0 2D 1F D8 0D 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000020DD81F2DE0, 992 bytes long.
 Data: <   &#216;    &#224;&#186; &#216;    > 10 20 1F D8 0D 02 00 00 E0 BA 1E D8 0D 02 00 00 
{88} normal block at 0x0000020DD81EBCC0, 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 0x0000020DD81E7740, 16 bytes long.
 Data: <&#192;&#218; &#216;            > C0 DA 1E D8 0D 02 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x0000020DD81EDAC0, 40 bytes long.
 Data: <@w &#216;    &#192;&#188; &#216;    > 40 77 1E D8 0D 02 00 00 C0 BC 1E D8 0D 02 00 00 
{65} normal block at 0x0000020DD81E7510, 16 bytes long.
 Data: < &#234;-I&#247;           > 80 EA 2D 49 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000020DD81E7970, 16 bytes long.
 Data: <@&#233;-I&#247;           > 40 E9 2D 49 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000020DD81E73D0, 16 bytes long.
 Data: <&#248;W*I&#247;           > F8 57 2A 49 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000020DD81E70B0, 16 bytes long.
 Data: <&#216;W*I&#247;           > D8 57 2A 49 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000020DD81E6FC0, 16 bytes long.
 Data: <P *I&#247;           > 50 04 2A 49 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000020DD81E74C0, 16 bytes long.
 Data: <0 *I&#247;           > 30 04 2A 49 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000020DD81E7100, 16 bytes long.
 Data: <&#224; *I&#247;           > E0 02 2A 49 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000020DD81E7920, 16 bytes long.
 Data: <  *I&#247;           > 10 04 2A 49 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000020DD81E6F70, 16 bytes long.
 Data: <p *I&#247;           > 70 04 2A 49 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000020DD81E7240, 16 bytes long.
 Data: < &#192;(I&#247;           > 18 C0 28 49 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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