Task 38699907

Name test_707-GPUGRID_TEST_ATM_40STEP_20261023-29-40-RND0380_0
Workunit 31640259
Created 6 Nov 2026, 1:44:38 UTC
Sent 6 Nov 2026, 1:44:46 UTC
Report deadline 11 Nov 2026, 1:44:46 UTC
Received 6 Nov 2026, 2:24:26 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 593616
Run time 37 min 32 sec
CPU time 33 min 20 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,502.51 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 728.29 MB
Peak swap size 6.93 GB
Peak disk usage 3.77 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
10:48:05 (97680): wrapper (7.9.26016): starting
10:48:05 (97680): 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
10:48:07 (97680): Library/usr/bin/tar.exe exited; CPU time 0.015625
10:48:07 (97680): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
'DOSKEY' &#130;&#205;&#129;A&#147;&#224;&#149;&#148;&#131;R&#131;}&#131;&#147;&#131;h&#130;&#220;&#130;&#189;&#130;&#205;&#138;O&#149;&#148;&#131;R&#131;}&#131;&#147;&#131;h&#129;A
&#145;&#128;&#141;&#236;&#137;&#194;&#148;\&#130;&#200;&#131;v&#131;&#141;&#131;O&#131;&#137;&#131;&#128;&#130;&#220;&#130;&#189;&#130;&#205;&#131;o&#131;b&#131;` &#131;t&#131;@&#131;C&#131;&#139;&#130;&#198;&#130;&#181;&#130;&#196;&#148;F&#142;&#175;&#130;&#179;&#130;&#234;&#130;&#196;&#130;&#162;&#130;&#220;&#130;&#185;&#130;&#241;&#129;B
  WARNING: The script pyaml.exe is installed in 'D:\ProgramData\BOINC\slots\15\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 'D:\ProgramData\BOINC\slots\15\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
11:23:55 (97680): C:/Windows/system32/cmd.exe exited; CPU time 2000.265625
11:23:55 (97680): 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: 40460251 bytes.
Dumping objects ->
{3835329} normal block at 0x000001D5A33D14F0, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835318} normal block at 0x000001D5A33D11E0, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835307} normal block at 0x000001D5A33D0D10, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835296} normal block at 0x000001D5A33D1330, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835285} normal block at 0x000001D5A33D1410, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835254} normal block at 0x000001D5A382AA00, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835241} normal block at 0x000001D5A186E120, 8 bytes long.
 Data: <  &#206;&#161;&#213;   > 00 00 CE A1 D5 01 00 00 
{3834077} normal block at 0x000001D5A186E5D0, 8 bytes long.
 Data: <&#176;H &#163;&#213;   > B0 48 88 A3 D5 01 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x000001D5A1872CA0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000001D5A1866AE0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{301} normal block at 0x000001D5A1876A30, 16 bytes long.
 Data: < t &#161;&#213;           > 08 74 87 A1 D5 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001D5A1876440, 16 bytes long.
 Data: < s &#161;&#213;           > E0 73 87 A1 D5 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001D5A18702E0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{298} normal block at 0x000001D5A1876350, 16 bytes long.
 Data: <&#184;s &#161;&#213;           > B8 73 87 A1 D5 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001D5A1876F30, 16 bytes long.
 Data: < s &#161;&#213;           > 90 73 87 A1 D5 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001D5A1876670, 16 bytes long.
 Data: <hs &#161;&#213;           > 68 73 87 A1 D5 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001D5A1876F80, 16 bytes long.
 Data: <@s &#161;&#213;           > 40 73 87 A1 D5 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001D5A1871430, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{293} normal block at 0x000001D5A18763F0, 16 bytes long.
 Data: <   &#161;&#213;           > E8 98 86 A1 D5 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001D5A1870940, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{291} normal block at 0x000001D5A1876EE0, 16 bytes long.
 Data: <&#192;  &#161;&#213;           > C0 98 86 A1 D5 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001D5A1876990, 16 bytes long.
 Data: <   &#161;&#213;           > 98 98 86 A1 D5 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001D5A1876D00, 16 bytes long.
 Data: <p  &#161;&#213;           > 70 98 86 A1 D5 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001D5A1876940, 16 bytes long.
 Data: <H  &#161;&#213;           > 48 98 86 A1 D5 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001D5A1876FD0, 16 bytes long.
 Data: <   &#161;&#213;           > 20 98 86 A1 D5 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001D5A18765D0, 16 bytes long.
 Data: <   &#161;&#213;           > F8 97 86 A1 D5 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001D5A1870D00, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{283} normal block at 0x000001D5A1876170, 16 bytes long.
 Data: <&#208;  &#161;&#213;           > D0 97 86 A1 D5 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001D5A18697D0, 320 bytes long.
 Data: <pa &#161;&#213;      &#161;&#213;   > 70 61 87 A1 D5 01 00 00 00 0D 87 A1 D5 01 00 00 
{281} normal block at 0x000001D5A1876580, 16 bytes long.
 Data: < s &#161;&#213;           > 20 73 87 A1 D5 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001D5A1876CB0, 16 bytes long.
 Data: < r &#161;&#213;           > F8 72 87 A1 D5 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001D5A1870220, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{278} normal block at 0x000001D5A1876850, 16 bytes long.
 Data: <&#208;r &#161;&#213;           > D0 72 87 A1 D5 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001D5A1870100, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{276} normal block at 0x000001D5A1876300, 16 bytes long.
 Data: < r &#161;&#213;           > 18 72 87 A1 D5 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001D5A1876530, 16 bytes long.
 Data: < q &#161;&#213;           > F0 71 87 A1 D5 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001D5A1876C10, 16 bytes long.
 Data: <&#200;q &#161;&#213;           > C8 71 87 A1 D5 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001D5A1876490, 16 bytes long.
 Data: < q &#161;&#213;           > A0 71 87 A1 D5 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001D5A18768F0, 16 bytes long.
 Data: <xq &#161;&#213;           > 78 71 87 A1 D5 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001D5A18764E0, 16 bytes long.
 Data: <Pq &#161;&#213;           > 50 71 87 A1 D5 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001D5A18762B0, 16 bytes long.
 Data: <   &#161;&#213;           > 20 11 87 A1 D5 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001D5A1871120, 40 bytes long.
 Data: <&#176;b &#161;&#213;    &#170; &#163;&#213;   > B0 62 87 A1 D5 01 00 00 00 AA 82 A3 D5 01 00 00 
{267} normal block at 0x000001D5A18767B0, 16 bytes long.
 Data: <0q &#161;&#213;           > 30 71 87 A1 D5 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001D5A18768A0, 16 bytes long.
 Data: < q &#161;&#213;           > 08 71 87 A1 D5 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001D5A1870460, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{264} normal block at 0x000001D5A18761C0, 16 bytes long.
 Data: < p &#161;&#213;           > E0 70 87 A1 D5 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001D5A18770E0, 992 bytes long.
 Data: <&#192;a &#161;&#213;   `  &#161;&#213;   > C0 61 87 A1 D5 01 00 00 60 04 87 A1 D5 01 00 00 
{99} normal block at 0x000001D5A1870CA0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{98} normal block at 0x000001D5A186E530, 16 bytes long.
 Data: <   &#161;&#213;           > E0 12 87 A1 D5 01 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x000001D5A18712E0, 40 bytes long.
 Data: <0  &#161;&#213;      &#161;&#213;   > 30 E5 86 A1 D5 01 00 00 A0 0C 87 A1 D5 01 00 00 
{74} normal block at 0x000001D5A186DE00, 16 bytes long.
 Data: <                > 80 EA 86 02 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001D5A186E760, 16 bytes long.
 Data: <@               > 40 E9 86 02 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001D5A186E620, 16 bytes long.
 Data: < W              > F8 57 83 02 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001D5A186E300, 16 bytes long.
 Data: <&#216;W              > D8 57 83 02 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001D5A186E3F0, 16 bytes long.
 Data: <P               > 50 04 83 02 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001D5A186E7B0, 16 bytes long.
 Data: <0               > 30 04 83 02 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001D5A186DEA0, 16 bytes long.
 Data: <                > E0 02 83 02 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001D5A186DD10, 16 bytes long.
 Data: <                > 10 04 83 02 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001D5A186E350, 16 bytes long.
 Data: <p               > 70 04 83 02 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001D5A186DA40, 16 bytes long.
 Data: < &#192;              > 18 C0 81 02 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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