Task 38676206

Name test_274-GPUGRID_TEST_ATM_40STEP_20261023-19-40-RND4459_0
Workunit 31618134
Created 26 Oct 2026, 10:35:20 UTC
Sent 26 Oct 2026, 10:35:23 UTC
Report deadline 31 Oct 2026, 10:35:23 UTC
Received 26 Oct 2026, 11:13:04 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654838
Run time 15 min 30 sec
CPU time 14 min 47 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 82,578.99 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 733.53 MB
Peak swap size 13.19 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
06:57:45 (43576): wrapper (7.9.26016): starting
06:57:45 (43576): 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
06:57:46 (43576): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:57:46 (43576): 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\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 'C:\ProgramData\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
07:12:36 (43576): C:/Windows/system32/cmd.exe exited; CPU time 887.656250
07:12:36 (43576): 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: 21309107 bytes.
Dumping objects ->
{3835501} normal block at 0x000001A156D04CF0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835490} normal block at 0x000001A156D04C80, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835479} normal block at 0x000001A156D04E40, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835468} normal block at 0x000001A156D04C10, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835457} normal block at 0x000001A156D04B30, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835426} normal block at 0x000001A15897D310, 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) : {3835413} normal block at 0x000001A156CFF050, 8 bytes long.
 Data: <   W&#161;   > 00 00 0C 57 A1 01 00 00 
{3833939} normal block at 0x000001A156CFEBA0, 8 bytes long.
 Data: <@i&#148;X&#161;   > 40 69 94 58 A1 01 00 00 
..\zip\boinc_zip.cpp(122) : {301} normal block at 0x000001A156D00150, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001A156CF76B0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{285} normal block at 0x000001A156D05D60, 16 bytes long.
 Data: <8U&#208;V&#161;           > 38 55 D0 56 A1 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001A156D06170, 16 bytes long.
 Data: < U&#208;V&#161;           > 10 55 D0 56 A1 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001A156D044E0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{282} normal block at 0x000001A156D06440, 16 bytes long.
 Data: <&#232;T&#208;V&#161;           > E8 54 D0 56 A1 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001A156D05A40, 16 bytes long.
 Data: <&#192;T&#208;V&#161;           > C0 54 D0 56 A1 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001A156D05C20, 16 bytes long.
 Data: < T&#208;V&#161;           > 98 54 D0 56 A1 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001A156D05720, 16 bytes long.
 Data: <pT&#208;V&#161;           > 70 54 D0 56 A1 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001A156D04EB0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{277} normal block at 0x000001A156D059F0, 16 bytes long.
 Data: <&#200;&#225;&#207;V&#161;           > C8 E1 CF 56 A1 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001A156D03DC0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{275} normal block at 0x000001A156D05A90, 16 bytes long.
 Data: <&#160;&#225;&#207;V&#161;           > A0 E1 CF 56 A1 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001A156D061C0, 16 bytes long.
 Data: <x&#225;&#207;V&#161;           > 78 E1 CF 56 A1 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001A156D05E50, 16 bytes long.
 Data: <P&#225;&#207;V&#161;           > 50 E1 CF 56 A1 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001A156D05BD0, 16 bytes long.
 Data: <(&#225;&#207;V&#161;           > 28 E1 CF 56 A1 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001A156D05810, 16 bytes long.
 Data: < &#225;&#207;V&#161;           > 00 E1 CF 56 A1 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001A156D05D10, 16 bytes long.
 Data: <&#216;&#224;&#207;V&#161;           > D8 E0 CF 56 A1 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001A156D03B20, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{267} normal block at 0x000001A156D059A0, 16 bytes long.
 Data: <&#176;&#224;&#207;V&#161;           > B0 E0 CF 56 A1 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001A156CFE0B0, 320 bytes long.
 Data: <&#160;Y&#208;V&#161;    ;&#208;V&#161;   > A0 59 D0 56 A1 01 00 00 20 3B D0 56 A1 01 00 00 
{265} normal block at 0x000001A156D05F90, 16 bytes long.
 Data: <PT&#208;V&#161;           > 50 54 D0 56 A1 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001A156D06580, 16 bytes long.
 Data: <(T&#208;V&#161;           > 28 54 D0 56 A1 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001A156D03820, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{262} normal block at 0x000001A156D05950, 16 bytes long.
 Data: < T&#208;V&#161;           > 00 54 D0 56 A1 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001A156D03A00, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{260} normal block at 0x000001A156D065D0, 16 bytes long.
 Data: <HS&#208;V&#161;           > 48 53 D0 56 A1 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001A156D05FE0, 16 bytes long.
 Data: < S&#208;V&#161;           > 20 53 D0 56 A1 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001A156D063F0, 16 bytes long.
 Data: <&#248;R&#208;V&#161;           > F8 52 D0 56 A1 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001A156D06260, 16 bytes long.
 Data: <&#208;R&#208;V&#161;           > D0 52 D0 56 A1 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001A156CFEAB0, 16 bytes long.
 Data: <&#168;R&#208;V&#161;           > A8 52 D0 56 A1 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001A156CFEA60, 16 bytes long.
 Data: < R&#208;V&#161;           > 80 52 D0 56 A1 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001A156CFEA10, 16 bytes long.
 Data: <PJ&#208;V&#161;           > 50 4A D0 56 A1 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000001A156D04A50, 40 bytes long.
 Data: < &#234;&#207;V&#161;    &#211;&#151;X&#161;   > 10 EA CF 56 A1 01 00 00 10 D3 97 58 A1 01 00 00 
{251} normal block at 0x000001A156CFE9C0, 16 bytes long.
 Data: <`R&#208;V&#161;           > 60 52 D0 56 A1 01 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x000001A156CFE5B0, 16 bytes long.
 Data: <8R&#208;V&#161;           > 38 52 D0 56 A1 01 00 00 00 00 00 00 00 00 00 00 
{249} normal block at 0x000001A156D03FA0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{248} normal block at 0x000001A156CFF0F0, 16 bytes long.
 Data: < R&#208;V&#161;           > 10 52 D0 56 A1 01 00 00 00 00 00 00 00 00 00 00 
{247} normal block at 0x000001A156D05210, 992 bytes long.
 Data: <&#240;&#240;&#207;V&#161;   &#160;?&#208;V&#161;   > F0 F0 CF 56 A1 01 00 00 A0 3F D0 56 A1 01 00 00 
{83} normal block at 0x000001A156D038E0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{82} normal block at 0x000001A156CFF410, 16 bytes long.
 Data: <`&#223;&#206;V&#161;           > 60 DF CE 56 A1 01 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x000001A156CEDF60, 40 bytes long.
 Data: < &#244;&#207;V&#161;   &#224;8&#208;V&#161;   > 10 F4 CF 56 A1 01 00 00 E0 38 D0 56 A1 01 00 00 
{60} normal block at 0x000001A156CFE650, 16 bytes long.
 Data: < &#234;^S&#247;           > 80 EA 5E 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001A156CFEFB0, 16 bytes long.
 Data: <@&#233;^S&#247;           > 40 E9 5E 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001A156CFF1E0, 16 bytes long.
 Data: <&#248;W[S&#247;           > F8 57 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001A156CFF370, 16 bytes long.
 Data: <&#216;W[S&#247;           > D8 57 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001A156CFEE70, 16 bytes long.
 Data: <P [S&#247;           > 50 04 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000001A156CFE6A0, 16 bytes long.
 Data: <0 [S&#247;           > 30 04 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x000001A156CFE790, 16 bytes long.
 Data: <&#224; [S&#247;           > E0 02 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x000001A156CFF2D0, 16 bytes long.
 Data: <  [S&#247;           > 10 04 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{52} normal block at 0x000001A156CFF3C0, 16 bytes long.
 Data: <p [S&#247;           > 70 04 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{51} normal block at 0x000001A156CFEEC0, 16 bytes long.
 Data: < &#192;YS&#247;           > 18 C0 59 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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