Task 38666700

Name test_600-GPUGRID_TEST_ATM_40STEP_20261023-8-40-RND7740_0
Workunit 31609505
Created 25 Oct 2026, 4:24:42 UTC
Sent 25 Oct 2026, 4:41:37 UTC
Report deadline 30 Oct 2026, 4:41:37 UTC
Received 25 Oct 2026, 7:21:11 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652183
Run time 24 min 15 sec
CPU time 20 min 31 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,325.87 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 722.95 MB
Peak swap size 11.46 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:57:46 (28668): wrapper (7.9.26016): starting
00:57:46 (28668): 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
00:57:47 (28668): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:57:47 (28668): 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 'C:\ProgramData\BOINC\slots\14\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 'C:\ProgramData\BOINC\slots\14\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
01:21:11 (28668): C:/Windows/system32/cmd.exe exited; CPU time 1231.453125
01:21:11 (28668): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 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: 28559667 bytes.
Dumping objects ->
{3835255} normal block at 0x000002653EEF21F0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835244} normal block at 0x000002653EEF1F50, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835233} normal block at 0x000002653EEF1E00, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835222} normal block at 0x000002653EEF20A0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835211} normal block at 0x000002653EEF1CB0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835180} normal block at 0x0000026540BD9EB0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835167} normal block at 0x000002653EEEC330, 8 bytes long.
 Data: <  /?e   > 00 00 2F 3F 65 02 00 00 
{3833957} normal block at 0x000002653EEEC290, 8 bytes long.
 Data: <  &#200;@e   > 20 0B C8 40 65 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000002653EEEE990, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002653EEE5770, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x000002653EEF3330, 16 bytes long.
 Data: <&#184;*&#239;>e           > B8 2A EF 3E 65 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002653EEF2E80, 16 bytes long.
 Data: < *&#239;>e           > 90 2A EF 3E 65 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002653EEED520, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x000002653EEF3600, 16 bytes long.
 Data: <h*&#239;>e           > 68 2A EF 3E 65 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002653EEF3B50, 16 bytes long.
 Data: <@*&#239;>e           > 40 2A EF 3E 65 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002653EEF3560, 16 bytes long.
 Data: < *&#239;>e           > 18 2A EF 3E 65 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002653EEF39C0, 16 bytes long.
 Data: <&#240;)&#239;>e           > F0 29 EF 3E 65 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002653EEF1FC0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x000002653EEF2CF0, 16 bytes long.
 Data: <&#168;&#179;&#237;>e           > A8 B3 ED 3E 65 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002653EEED880, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x000002653EEF33D0, 16 bytes long.
 Data: < &#179;&#237;>e           > 80 B3 ED 3E 65 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002653EEF32E0, 16 bytes long.
 Data: <X&#179;&#237;>e           > 58 B3 ED 3E 65 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002653EEF3380, 16 bytes long.
 Data: <0&#179;&#237;>e           > 30 B3 ED 3E 65 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002653EEF3970, 16 bytes long.
 Data: < &#179;&#237;>e           > 08 B3 ED 3E 65 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002653EEF3010, 16 bytes long.
 Data: <&#224;&#178;&#237;>e           > E0 B2 ED 3E 65 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002653EEF3510, 16 bytes long.
 Data: <&#184;&#178;&#237;>e           > B8 B2 ED 3E 65 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002653EEED160, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x000002653EEF30B0, 16 bytes long.
 Data: < &#178;&#237;>e           > 90 B2 ED 3E 65 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002653EEDB290, 320 bytes long.
 Data: <&#176;0&#239;>e   `&#209;&#238;>e   > B0 30 EF 3E 65 02 00 00 60 D1 EE 3E 65 02 00 00 
{274} normal block at 0x000002653EEF3060, 16 bytes long.
 Data: <&#208;)&#239;>e           > D0 29 EF 3E 65 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002653EEF38D0, 16 bytes long.
 Data: <&#168;)&#239;>e           > A8 29 EF 3E 65 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002653EEEDA00, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x000002653EEF2C50, 16 bytes long.
 Data: < )&#239;>e           > 80 29 EF 3E 65 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002653EEED340, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x000002653EEF3100, 16 bytes long.
 Data: <&#200;(&#239;>e           > C8 28 EF 3E 65 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002653EEF3AB0, 16 bytes long.
 Data: <&#160;(&#239;>e           > A0 28 EF 3E 65 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002653EEF2F20, 16 bytes long.
 Data: <x(&#239;>e           > 78 28 EF 3E 65 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002653EEF34C0, 16 bytes long.
 Data: <P(&#239;>e           > 50 28 EF 3E 65 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002653EEF3A60, 16 bytes long.
 Data: <((&#239;>e           > 28 28 EF 3E 65 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002653EEEBC50, 16 bytes long.
 Data: < (&#239;>e           > 00 28 EF 3E 65 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002653EEEC650, 16 bytes long.
 Data: < !&#239;>e           > 80 21 EF 3E 65 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002653EEF2180, 40 bytes long.
 Data: <P&#198;&#238;>e   &#176;&#158;&#189;@e   > 50 C6 EE 3E 65 02 00 00 B0 9E BD 40 65 02 00 00 
{260} normal block at 0x000002653EEEC5B0, 16 bytes long.
 Data: <&#224;'&#239;>e           > E0 27 EF 3E 65 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002653EEEC060, 16 bytes long.
 Data: <&#184;'&#239;>e           > B8 27 EF 3E 65 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002653EEED3A0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x000002653EEEBF20, 16 bytes long.
 Data: < '&#239;>e           > 90 27 EF 3E 65 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002653EEF2790, 992 bytes long.
 Data: < &#191;&#238;>e   &#160;&#211;&#238;>e   > 20 BF EE 3E 65 02 00 00 A0 D3 EE 3E 65 02 00 00 
{92} normal block at 0x000002653EEEDA60, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x000002653EEEBD90, 16 bytes long.
 Data: <P&#219;&#237;>e           > 50 DB ED 3E 65 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000002653EEDDB50, 40 bytes long.
 Data: < &#189;&#238;>e   `&#218;&#238;>e   > 90 BD EE 3E 65 02 00 00 60 DA EE 3E 65 02 00 00 
{69} normal block at 0x000002653EEEC790, 16 bytes long.
 Data: < &#234; k&#247;           > 80 EA 88 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002653EEEC2E0, 16 bytes long.
 Data: <@&#233; k&#247;           > 40 E9 88 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002653EEEC920, 16 bytes long.
 Data: <&#248;W&#133;k&#247;           > F8 57 85 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002653EEEC420, 16 bytes long.
 Data: <&#216;W&#133;k&#247;           > D8 57 85 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002653EEEC240, 16 bytes long.
 Data: <P &#133;k&#247;           > 50 04 85 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002653EEEC1F0, 16 bytes long.
 Data: <0 &#133;k&#247;           > 30 04 85 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002653EEEC1A0, 16 bytes long.
 Data: <&#224; &#133;k&#247;           > E0 02 85 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002653EEEC740, 16 bytes long.
 Data: <  &#133;k&#247;           > 10 04 85 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002653EEEBCA0, 16 bytes long.
 Data: <p &#133;k&#247;           > 70 04 85 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002653EEECAB0, 16 bytes long.
 Data: < &#192;&#131;k&#247;           > 18 C0 83 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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